2,4,6-Cycloheptatrienide C7H7 structure

Molecular Formula C7H7 Average mass 91.131 Da Density Boiling Point Flash Point Molar Refractivity Polarizability Surface Tension Molar Volume Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module Density: Boiling Point: Vapour Pressure: Enthalpy of Vaporization: Flash Point: Index of Refraction: Molar Refractivity: … Continue reading "2,4,6-Cycloheptatrienide C7H7 structure"

Propiolactone C3H4O2 structure

Molecular Formula C3H4O2 Average mass 72.063 Da Density 1.2±0.1 g/cm3 Boiling Point 162.0±0.0 °C at 760 mmHg Flash Point 35.0±16.1 °C Molar Refractivity 15.6±0.3 cm3 Polarizability 6.2±0.5 10-24cm3 Surface Tension 38.7±3.0 dyne/cm Molar Volume 58.5±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: -34 °C … Continue reading "Propiolactone C3H4O2 structure"

2-Cyclopropenylium C3H3 structure

Molecular Formula C3H3 Average mass 39.055 Da Density Boiling Point Flash Point Molar Refractivity Polarizability Surface Tension Molar Volume Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module Density: Boiling Point: Vapour Pressure: Enthalpy of Vaporization: Flash Point: Index of Refraction: Molar Refractivity: … Continue reading "2-Cyclopropenylium C3H3 structure"

Fluorescein isothiocyanate C21H11NO5S structure

Molecular Formula C21H11NO5S Average mass 389.381 Da Density 1.5±0.1 g/cm3 Boiling Point 735.6±60.0 °C at 760 mmHg Flash Point 398.7±32.9 °C Molar Refractivity 104.3±0.5 cm3 Polarizability 41.4±0.5 10-24cm3 Surface Tension 59.2±7.0 dyne/cm Molar Volume 265.5±7.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "Fluorescein isothiocyanate C21H11NO5S structure"

novobiocin C31H36N2O11 structure

Molecular Formula C31H36N2O11 Average mass 612.624 Da Density 1.4±0.1 g/cm3 Boiling Point 876.2±65.0 °C at 760 mmHg Flash Point 483.7±34.3 °C Molar Refractivity 155.3±0.4 cm3 Polarizability 61.6±0.5 10-24cm3 Surface Tension 70.6±5.0 dyne/cm Molar Volume 431.0±5.0 cm3

2-(2-Pyridinyl)-2,3-dihydro-1,3-benzothiazole C12H10N2S structure

Molecular Formula C12H10N2S Average mass 214.286 Da Density 1.3±0.1 g/cm3 Boiling Point 398.7±42.0 °C at 760 mmHg Flash Point 194.9±27.9 °C Molar Refractivity 63.2±0.3 cm3 Polarizability 25.1±0.5 10-24cm3 Surface Tension 56.1±3.0 dyne/cm Molar Volume 171.4±3.0 cm3 Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted data is generated using the ACD/Labs Percepta Platform – … Continue reading "2-(2-Pyridinyl)-2,3-dihydro-1,3-benzothiazole C12H10N2S structure"

cloperidone C21H23ClN4O2 structure

Molecular Formula C21H23ClN4O2 Average mass 398.886 Da Density 1.3±0.1 g/cm3 Boiling Point Flash Point Molar Refractivity 107.9±0.3 cm3 Polarizability 42.8±0.5 10-24cm3 Surface Tension 51.1±3.0 dyne/cm Molar Volume 311.2±3.0 cm3 Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module Density: 1.3±0.1 … Continue reading "cloperidone C21H23ClN4O2 structure"

Tribenzylamine C21H21N structure

Molecular Formula C21H21N Average mass 287.398 Da Density 1.1±0.1 g/cm3 Boiling Point 385.0±0.0 °C at 760 mmHg Flash Point 170.0±16.2 °C Molar Refractivity 93.1±0.3 cm3 Polarizability 36.9±0.5 10-24cm3 Surface Tension 45.3±3.0 dyne/cm Molar Volume 267.4±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "Tribenzylamine C21H21N structure"

Variabilin (Ircinia) C25H34O4 structure

Molecular Formula C25H34O4 Average mass 398.535 Da Density 1.1±0.1 g/cm3 Boiling Point 531.3±50.0 °C at 760 mmHg Flash Point 275.1±30.1 °C Molar Refractivity 118.4±0.3 cm3 Polarizability 46.9±0.5 10-24cm3 Surface Tension 46.3±3.0 dyne/cm Molar Volume 361.5±3.0 cm3 Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted data is generated using the ACD/Labs Percepta Platform – … Continue reading "Variabilin (Ircinia) C25H34O4 structure"

Luliconazole C14H9Cl2N3S2 structure

Molecular Formula C14H9Cl2N3S2 Average mass 354.277 Da Density 1.5±0.1 g/cm3 Boiling Point 499.1±55.0 °C at 760 mmHg Flash Point 255.6±31.5 °C Molar Refractivity 93.2±0.5 cm3 Polarizability 36.9±0.5 10-24cm3 Surface Tension 60.5±7.0 dyne/cm Molar Volume 232.4±7.0 cm3

manzamine H C36H50N4O structure

Molecular Formula C36H50N4O Average mass 554.808 Da Density 1.2±0.1 g/cm3 Boiling Point 741.4±60.0 °C at 760 mmHg Flash Point 402.2±32.9 °C Molar Refractivity 169.9±0.4 cm3 Polarizability 67.3±0.5 10-24cm3 Surface Tension 59.1±5.0 dyne/cm Molar Volume 464.6±5.0 cm3

Hexacontane C60H122 structure

Molecular Formula C60H122 Average mass 843.611 Da Density 0.8±0.1 g/cm3 Boiling Point 620.2±18.0 °C at 760 mmHg Flash Point 604.0±10.8 °C Molar Refractivity 280.0±0.3 cm3 Polarizability 111.0±0.5 10-24cm3 Surface Tension 31.8±3.0 dyne/cm Molar Volume 1018.9±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – ChemAxon Gas Chromatography Retention Index (Kovats): 5985 (estimated with error: 39) NIST … Continue reading "Hexacontane C60H122 structure"

(-)-citrinin C13H14O5 structure

Molecular Formula C13H14O5 Average mass 250.247 Da Density 1.4±0.1 g/cm3 Boiling Point 409.8±45.0 °C at 760 mmHg Flash Point 156.6±22.2 °C Molar Refractivity 61.7±0.4 cm3 Polarizability 24.5±0.5 10-24cm3 Surface Tension 56.0±5.0 dyne/cm Molar Volume 181.5±5.0 cm3

cGMP C10H12N5O7P structure

Molecular Formula C10H12N5O7P Average mass 345.205 Da Density 2.6±0.1 g/cm3 Boiling Point Flash Point Molar Refractivity 67.9±0.5 cm3 Polarizability 26.9±0.5 10-24cm3 Surface Tension 175.4±7.0 dyne/cm Molar Volume 130.3±7.0 cm3

Pristinamycin IIA C28H35N3O7 structure

Molecular Formula C28H35N3O7 Average mass 525.593 Da Density 1.3±0.1 g/cm3 Boiling Point 825.2±65.0 °C at 760 mmHg Flash Point 452.9±34.3 °C Molar Refractivity 139.1±0.4 cm3 Polarizability 55.1±0.5 10-24cm3 Surface Tension 57.9±5.0 dyne/cm Molar Volume 414.3±5.0 cm3

Telithromycin C43H65N5O10 structure

Molecular Formula C43H65N5O10 Average mass 812.004 Da Density 1.3±0.1 g/cm3 Boiling Point 966.2±65.0 °C at 760 mmHg Flash Point 538.2±34.3 °C Molar Refractivity 216.2±0.5 cm3 Polarizability 85.7±0.5 10-24cm3 Surface Tension 44.1±7.0 dyne/cm Molar Volume 641.8±7.0 cm3

nitroso-R salt C10H5NNa2O8S2 structure

Molecular Formula C10H5NNa2O8S2 Average mass 377.258 Da Density Boiling Point Flash Point Molar Refractivity Polarizability Surface Tension Molar Volume Experimental data Predicted – ACD/Labs Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: 300 °C Alfa Aesar B23375 Miscellaneous Safety: 26-37 Alfa Aesar B23375 36/37/38 Alfa Aesar B23375 GHS07 Biosynth W-105816 H302; H312; H332 Biosynth … Continue reading "nitroso-R salt C10H5NNa2O8S2 structure"

Fursultiamine C17H26N4O3S2 structure

Molecular Formula C17H26N4O3S2 Average mass 398.543 Da Density 1.3±0.1 g/cm3 Boiling Point 652.3±55.0 °C at 760 mmHg Flash Point 348.3±31.5 °C Molar Refractivity 108.1±0.3 cm3 Polarizability 42.8±0.5 10-24cm3 Surface Tension 64.1±3.0 dyne/cm Molar Volume 305.3±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Flash Point: 348.3 °C … Continue reading "Fursultiamine C17H26N4O3S2 structure"

9H-Fluoren-9-amine C13H11N structure

Molecular Formula C13H11N Average mass 181.233 Da Density 1.2±0.1 g/cm3 Boiling Point 331.1±31.0 °C at 760 mmHg Flash Point 168.1±20.1 °C Molar Refractivity 57.3±0.3 cm3 Polarizability 22.7±0.5 10-24cm3 Surface Tension 51.0±3.0 dyne/cm Molar Volume 155.9±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "9H-Fluoren-9-amine C13H11N structure"

N-Methyldithiocarbamate C2H5NS2 structure

Molecular Formula C2H5NS2 Average mass 107.198 Da Density 1.2±0.1 g/cm3 Boiling Point 120.3±23.0 °C at 760 mmHg Flash Point 26.5±22.6 °C Molar Refractivity 30.1±0.3 cm3 Polarizability 11.9±0.5 10-24cm3 Surface Tension 50.3±3.0 dyne/cm Molar Volume 89.4±3.0 cm3 Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted data is generated using the ACD/Labs Percepta Platform – … Continue reading "N-Methyldithiocarbamate C2H5NS2 structure"

Pyridoxal 5′-phosphate C8H10NO6P structure

Molecular Formula C8H10NO6P Average mass 247.142 Da Density 1.6±0.1 g/cm3 Boiling Point 565.7±60.0 °C at 760 mmHg Flash Point 296.0±32.9 °C Molar Refractivity 54.4±0.3 cm3 Polarizability 21.6±0.5 10-24cm3 Surface Tension 87.3±3.0 dyne/cm Molar Volume 150.9±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "Pyridoxal 5′-phosphate C8H10NO6P structure"

Metam-sodium C2H4NNaS2 structure

Molecular Formula C2H4NNaS2 Average mass 129.180 Da Density Boiling Point Flash Point Molar Refractivity Polarizability Surface Tension Molar Volume Predicted – ACD/Labs Predicted – ChemAxon Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module No predicted properties have been calculated for this compound. Density: Boiling Point: Vapour Pressure: Enthalpy of Vaporization: Flash … Continue reading "Metam-sodium C2H4NNaS2 structure"

Schisandrin C24H32O7 structure

Molecular Formula C24H32O7 Average mass 432.507 Da Density 1.1±0.1 g/cm3 Boiling Point 576.7±50.0 °C at 760 mmHg Flash Point 302.6±30.1 °C Molar Refractivity 118.6±0.3 cm3 Polarizability 47.0±0.5 10-24cm3 Surface Tension 36.5±3.0 dyne/cm Molar Volume 381.0±3.0 cm3

a-Gurjunene C15H24 structure

Molecular Formula C15H24 Average mass 204.351 Da Density 0.9±0.1 g/cm3 Boiling Point 263.9±7.0 °C at 760 mmHg Flash Point 101.3±13.0 °C Molar Refractivity 64.7±0.4 cm3 Polarizability 25.7±0.5 10-24cm3 Surface Tension 31.5±5.0 dyne/cm Molar Volume 215.6±5.0 cm3

D-Fructopyranose C6H12O6 structure

Molecular Formula C6H12O6 Average mass 180.156 Da Density 1.8±0.1 g/cm3 Boiling Point 401.1±45.0 °C at 760 mmHg Flash Point 196.4±28.7 °C Molar Refractivity 37.2±0.3 cm3 Polarizability 14.7±0.5 10-24cm3 Surface Tension 91.9±3.0 dyne/cm Molar Volume 102.4±3.0 cm3

Coleon U quinone C20H24O5 structure

Molecular Formula C20H24O5 Average mass 344.402 Da Density 1.3±0.1 g/cm3 Boiling Point 520.4±50.0 °C at 760 mmHg Flash Point 282.6±26.6 °C Molar Refractivity 90.3±0.4 cm3 Polarizability 35.8±0.5 10-24cm3 Surface Tension 53.7±5.0 dyne/cm Molar Volume 267.2±5.0 cm3

(E)-Ranitidine C13H22N4O3S structure

Molecular Formula C13H22N4O3S Average mass 314.404 Da Density 1.2±0.1 g/cm3 Boiling Point 437.1±45.0 °C at 760 mmHg Flash Point 218.2±28.7 °C Molar Refractivity 85.6±0.3 cm3 Polarizability 34.0±0.5 10-24cm3 Surface Tension 45.0±3.0 dyne/cm Molar Volume 265.4±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Miscellaneous Drug Status: approved BIONET-Key … Continue reading "(E)-Ranitidine C13H22N4O3S structure"

Guan-fu base Z C24H33NO5 structure

Molecular Formula C24H33NO5 Average mass 415.522 Da Density 1.4±0.1 g/cm3 Boiling Point 564.4±50.0 °C at 760 mmHg Flash Point 295.1±30.1 °C Molar Refractivity 108.6±0.4 cm3 Polarizability 43.1±0.5 10-24cm3 Surface Tension 66.4±5.0 dyne/cm Molar Volume 294.4±5.0 cm3

Tributyltin oxide C24H54OSn2 structure

Molecular Formula C24H54OSn2 Average mass 596.105 Da Density Boiling Point 474.8±28.0 °C at 760 mmHg Flash Point 241.0±24.0 °C Molar Refractivity Polarizability Surface Tension Molar Volume Experimental data Predicted – ACD/Labs Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: -45 °C LabNetwork LN00222115 Experimental Gravity: 20 g/mL Merck Millipore 1319 20 g/l Merck Millipore … Continue reading "Tributyltin oxide C24H54OSn2 structure"

Thiopental C11H18N2O2S structure

Molecular Formula C11H18N2O2S Average mass 242.338 Da Density 1.2±0.1 g/cm3 Boiling Point Flash Point Molar Refractivity 65.6±0.4 cm3 Polarizability 26.0±0.5 10-24cm3 Surface Tension 48.9±5.0 dyne/cm Molar Volume 207.6±5.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: 155-160 °C LabNetwork LN01313229 Gas Chromatography Retention Index (Kovats): … Continue reading "Thiopental C11H18N2O2S structure"