Iodobenzene diacetate C10H11IO4 structure

Molecular Formula C10H11IO4 Average mass 322.096 Da Density Boiling Point Flash Point Molar Refractivity Polarizability Surface Tension Molar Volume Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting Point: 161-163 °C SynQuest 159-161 °C Alfa Aesar 159-161 °C Alfa Aesar B24531 161-164 °C Merck Millipore … Continue reading "Iodobenzene diacetate C10H11IO4 structure"

2,5-Furandicarboxylic acid C6H4O5 structure

Molecular Formula C6H4O5 Average mass 156.093 Da Density 1.6±0.1 g/cm3 Boiling Point 419.2±30.0 °C at 760 mmHg Flash Point 207.3±24.6 °C Molar Refractivity 32.4±0.3 cm3 Polarizability 12.8±0.5 10-24cm3 Surface Tension 74.2±3.0 dyne/cm Molar Volume 97.3±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "2,5-Furandicarboxylic acid C6H4O5 structure"

Fluornen-9-bisphenol C25H18O2 structure

Molecular Formula C25H18O2 Average mass 350.409 Da Density 1.3±0.1 g/cm3 Boiling Point 526.4±50.0 °C at 760 mmHg Flash Point 241.0±24.7 °C Molar Refractivity 106.4±0.3 cm3 Polarizability 42.2±0.5 10-24cm3 Surface Tension 63.5±3.0 dyne/cm Molar Volume 272.0±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "Fluornen-9-bisphenol C25H18O2 structure"

UNII:GE16EV367Q C22H42O6 structure

Molecular Formula C22H42O6 Average mass 402.565 Da Density 1.0±0.1 g/cm3 Boiling Point 463.5±25.0 °C at 760 mmHg Flash Point 194.6±23.2 °C Molar Refractivity 110.9±0.3 cm3 Polarizability 44.0±0.5 10-24cm3 Surface Tension 33.4±3.0 dyne/cm Molar Volume 412.1±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: -50 °C … Continue reading "UNII:GE16EV367Q C22H42O6 structure"

Acetyl Sulfide C4H6O2S structure

Molecular Formula C4H6O2S Average mass 118.154 Da Density 1.1±0.1 g/cm3 Boiling Point 119.5±9.0 °C at 760 mmHg Flash Point 26.7±0.0 °C Molar Refractivity 28.6±0.3 cm3 Polarizability 11.4±0.5 10-24cm3 Surface Tension 36.2±3.0 dyne/cm Molar Volume 102.8±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Gas Chromatography Retention Index (Kovats): … Continue reading "Acetyl Sulfide C4H6O2S structure"

3,4-Dihydroisoquinoline C9H9N structure

Molecular Formula C9H9N Average mass 131.174 Da Density 1.0±0.1 g/cm3 Boiling Point 241.8±20.0 °C at 760 mmHg Flash Point 91.6±22.6 °C Molar Refractivity 42.0±0.5 cm3 Polarizability 16.6±0.5 10-24cm3 Surface Tension 38.9±7.0 dyne/cm Molar Volume 124.9±7.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Miscellaneous Appearance: Not Available Novochemy [NC-03626] Safety: 20/21/22 … Continue reading "3,4-Dihydroisoquinoline C9H9N structure"

1,3-dichloro-2,2-bis(chloromethyl)propane C5H8Cl4 structure

Molecular Formula C5H8Cl4 Average mass 209.929 Da Density 1.3±0.1 g/cm3 Boiling Point 233.3±8.0 °C at 760 mmHg Flash Point 94.8±15.8 °C Molar Refractivity 44.6±0.3 cm3 Polarizability 17.7±0.5 10-24cm3 Surface Tension 34.6±3.0 dyne/cm Molar Volume 156.7±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "1,3-dichloro-2,2-bis(chloromethyl)propane C5H8Cl4 structure"

Butylparaben C11H14O3 structure

Molecular Formula C11H14O3 Average mass 194.227 Da Density 1.1±0.1 g/cm3 Boiling Point 309.2±15.0 °C at 760 mmHg Flash Point 129.2±13.2 °C Molar Refractivity 53.8±0.3 cm3 Polarizability 21.3±0.5 10-24cm3 Surface Tension 42.1±3.0 dyne/cm Molar Volume 175.3±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "Butylparaben C11H14O3 structure"

2,4-Dichloro-6-(1-pyrenyl)-1,3,5-triazine C19H9Cl2N3 structure

Molecular Formula C19H9Cl2N3 Average mass 350.201 Da Density 1.5±0.1 g/cm3 Boiling Point 628.4±38.0 °C at 760 mmHg Flash Point 359.3±12.4 °C Molar Refractivity 101.1±0.3 cm3 Polarizability 40.1±0.5 10-24cm3 Surface Tension 74.1±3.0 dyne/cm Molar Volume 230.8±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: 197-203 °C … Continue reading "2,4-Dichloro-6-(1-pyrenyl)-1,3,5-triazine C19H9Cl2N3 structure"

cyclohexylmethylamine C7H15N structure

Molecular Formula C7H15N Average mass 113.201 Da Density 0.9±0.1 g/cm3 Boiling Point 146.0±8.0 °C at 760 mmHg Flash Point 43.3±0.0 °C Molar Refractivity 35.9±0.3 cm3 Polarizability 14.2±0.5 10-24cm3 Surface Tension 32.7±3.0 dyne/cm Molar Volume 131.2±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "cyclohexylmethylamine C7H15N structure"

sulfaethidole C10H12N4O2S2 structure

Molecular Formula C10H12N4O2S2 Average mass 284.358 Da Density 1.5±0.1 g/cm3 Boiling Point 508.5±52.0 °C at 760 mmHg Flash Point 261.3±30.7 °C Molar Refractivity 70.5±0.4 cm3 Polarizability 28.0±0.5 10-24cm3 Surface Tension 80.4±3.0 dyne/cm Molar Volume 189.6±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Solubility: … Continue reading "sulfaethidole C10H12N4O2S2 structure"

Diethyl diallylmalonate C13H20O4 structure

Molecular Formula C13H20O4 Average mass 240.296 Da Density 1.0±0.1 g/cm3 Boiling Point 243.5±0.0 °C at 760 mmHg Flash Point 106.7±24.4 °C Molar Refractivity 65.2±0.3 cm3 Polarizability 25.9±0.5 10-24cm3 Surface Tension 32.1±3.0 dyne/cm Molar Volume 240.3±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Boiling … Continue reading "Diethyl diallylmalonate C13H20O4 structure"

6-Methoxyindole C9H9NO structure

Molecular Formula C9H9NO Average mass 147.174 Da Density 1.2±0.1 g/cm3 Boiling Point 297.8±13.0 °C at 760 mmHg Flash Point 109.2±10.1 °C Molar Refractivity 45.2±0.3 cm3 Polarizability 17.9±0.5 10-24cm3 Surface Tension 45.8±3.0 dyne/cm Molar Volume 125.9±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "6-Methoxyindole C9H9NO structure"

Benzylparaben C14H12O3 structure

Molecular Formula C14H12O3 Average mass 228.243 Da Density 1.2±0.1 g/cm3 Boiling Point 389.8±17.0 °C at 760 mmHg Flash Point 168.0±13.7 °C Molar Refractivity 64.4±0.3 cm3 Polarizability 25.5±0.5 10-24cm3 Surface Tension 51.4±3.0 dyne/cm Molar Volume 186.5±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "Benzylparaben C14H12O3 structure"

phenylalaninol C9H13NO structure

Molecular Formula C9H13NO Average mass 151.206 Da Density 1.1±0.1 g/cm3 Boiling Point 303.8±22.0 °C at 760 mmHg Flash Point 137.5±22.3 °C Molar Refractivity 45.5±0.3 cm3 Polarizability 18.0±0.5 10-24cm3 Surface Tension 46.7±3.0 dyne/cm Molar Volume 140.3±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "phenylalaninol C9H13NO structure"

allylglycine C5H9NO2 structure

Molecular Formula C5H9NO2 Average mass 115.131 Da Density 1.0±0.1 g/cm3 Boiling Point 222.7±23.0 °C at 760 mmHg Flash Point 88.5±22.6 °C Molar Refractivity 30.1±0.3 cm3 Polarizability 11.9±0.5 10-24cm3 Surface Tension 36.7±3.0 dyne/cm Molar Volume 109.6±3.0 cm3 Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Predicted data is generated using the ACD/Labs … Continue reading "allylglycine C5H9NO2 structure"

3-Dimethylaminopropanol C5H13NO structure

Molecular Formula C5H13NO Average mass 103.163 Da Density 0.9±0.1 g/cm3 Boiling Point 163.5±0.0 °C at 760 mmHg Flash Point 36.1±0.0 °C Molar Refractivity 30.5±0.3 cm3 Polarizability 12.1±0.5 10-24cm3 Surface Tension 31.1±3.0 dyne/cm Molar Volume 115.8±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "3-Dimethylaminopropanol C5H13NO structure"

Isocyanatomethylbenzene C8H7NO structure

Molecular Formula C8H7NO Average mass 133.147 Da Density 1.0±0.1 g/cm3 Boiling Point 198.5±19.0 °C at 760 mmHg Flash Point 45.0±0.0 °C Molar Refractivity 40.8±0.5 cm3 Polarizability 16.2±0.5 10-24cm3 Surface Tension 37.8±7.0 dyne/cm Molar Volume 134.6±7.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Boiling … Continue reading "Isocyanatomethylbenzene C8H7NO structure"

FMNH C17H23N4O9P structure

Molecular Formula C17H23N4O9P Average mass 458.360 Da Density 1.7±0.1 g/cm3 Boiling Point Flash Point Molar Refractivity 104.2±0.4 cm3 Polarizability 41.3±0.5 10-24cm3 Surface Tension 102.8±5.0 dyne/cm Molar Volume 267.6±5.0 cm3 Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module Density: 1.7±0.1 g/cm3 Boiling Point: … Continue reading "FMNH C17H23N4O9P structure"

Dimethocaine C16H26N2O2 structure

Molecular Formula C16H26N2O2 Average mass 278.390 Da Density 1.0±0.1 g/cm3 Boiling Point 403.5±25.0 °C at 760 mmHg Flash Point 197.8±23.2 °C Molar Refractivity 83.0±0.3 cm3 Polarizability 32.9±0.5 10-24cm3 Surface Tension 40.1±3.0 dyne/cm Molar Volume 269.0±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: 48-51 °C … Continue reading "Dimethocaine C16H26N2O2 structure"

5-acetyl-1,3-benzodioxole C9H8O3 structure

Molecular Formula C9H8O3 Average mass 164.158 Da Density 1.2±0.1 g/cm3 Boiling Point 294.6±29.0 °C at 760 mmHg Flash Point 122.8±10.7 °C Molar Refractivity 42.4±0.3 cm3 Polarizability 16.8±0.5 10-24cm3 Surface Tension 48.0±3.0 dyne/cm Molar Volume 132.1±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "5-acetyl-1,3-benzodioxole C9H8O3 structure"

Adipostatin A C21H36O2 structure

Molecular Formula C21H36O2 Average mass 320.509 Da Density 1.0±0.1 g/cm3 Boiling Point 452.5±15.0 °C at 760 mmHg Flash Point 195.5±15.0 °C Molar Refractivity 99.8±0.3 cm3 Polarizability 39.6±0.5 10-24cm3 Surface Tension 38.5±3.0 dyne/cm Molar Volume 333.7±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Spectroscopy Lambda Max: 278 FooDB FDB002998 Experimental Physico-chemical … Continue reading "Adipostatin A C21H36O2 structure"

Methyl 4-chlorobutanoate C5H9ClO2 structure

Molecular Formula C5H9ClO2 Average mass 136.577 Da Density 1.1±0.1 g/cm3 Boiling Point 175.5±0.0 °C at 760 mmHg Flash Point 59.4±0.0 °C Molar Refractivity 31.8±0.3 cm3 Polarizability 12.6±0.5 10-24cm3 Surface Tension 29.8±3.0 dyne/cm Molar Volume 125.9±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Boiling … Continue reading "Methyl 4-chlorobutanoate C5H9ClO2 structure"

Propylparaben C10H12O3 structure

Molecular Formula C10H12O3 Average mass 180.201 Da Density 1.1±0.1 g/cm3 Boiling Point 294.3±13.0 °C at 760 mmHg Flash Point 124.6±12.6 °C Molar Refractivity 49.2±0.3 cm3 Polarizability 19.5±0.5 10-24cm3 Surface Tension 43.1±3.0 dyne/cm Molar Volume 158.8±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "Propylparaben C10H12O3 structure"

2-(2h-benzotriazol-2-yl)-4-tert-butylphenol C16H17N3O structure

Molecular Formula C16H17N3O Average mass 267.326 Da Density 1.2±0.1 g/cm3 Boiling Point 438.1±55.0 °C at 760 mmHg Flash Point 218.8±31.5 °C Molar Refractivity 79.5±0.5 cm3 Polarizability 31.5±0.5 10-24cm3 Surface Tension 44.0±7.0 dyne/cm Molar Volume 224.9±7.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: 97 °C … Continue reading "2-(2h-benzotriazol-2-yl)-4-tert-butylphenol C16H17N3O structure"

glycero-gulo-heptose C7H14O7 structure

Molecular Formula C7H14O7 Average mass 210.182 Da Density 1.6±0.1 g/cm3 Boiling Point 592.1±50.0 °C at 760 mmHg Flash Point 325.9±26.6 °C Molar Refractivity 43.7±0.3 cm3 Polarizability 17.3±0.5 10-24cm3 Surface Tension 101.0±3.0 dyne/cm Molar Volume 128.3±3.0 cm3

3,3-DIMETHYL-2,4-PENTANEDIONE C7H12O2 structure

Molecular Formula C7H12O2 Average mass 128.169 Da Density 0.9±0.1 g/cm3 Boiling Point 173.0±0.0 °C at 760 mmHg Flash Point 57.0±16.8 °C Molar Refractivity 34.5±0.3 cm3 Polarizability 13.7±0.5 10-24cm3 Surface Tension 27.2±3.0 dyne/cm Molar Volume 138.4±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: 19 °C … Continue reading "3,3-DIMETHYL-2,4-PENTANEDIONE C7H12O2 structure"

Ginkgotoxin C9H13NO3 structure

Molecular Formula C9H13NO3 Average mass 183.204 Da Density 1.2±0.1 g/cm3 Boiling Point 404.2±40.0 °C at 760 mmHg Flash Point 198.3±27.3 °C Molar Refractivity 48.8±0.3 cm3 Polarizability 19.3±0.5 10-24cm3 Surface Tension 52.1±3.0 dyne/cm Molar Volume 150.4±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: 181 °C … Continue reading "Ginkgotoxin C9H13NO3 structure"

Synephrine C9H13NO2 structure

Molecular Formula C9H13NO2 Average mass 167.205 Da Density 1.2±0.1 g/cm3 Boiling Point 341.1±27.0 °C at 760 mmHg Flash Point 163.4±14.3 °C Molar Refractivity 47.4±0.3 cm3 Polarizability 18.8±0.5 10-24cm3 Surface Tension 49.2±3.0 dyne/cm Molar Volume 144.3±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "Synephrine C9H13NO2 structure"