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3-Oxobutanol C₄H₈O₂ structure

Molecular Formula C4H8O2 Average mass 88.105 Da Density 1.0±0.1 g/cm3 Boiling Point 156.3±13.0 °C at 760 mmHg Flash Point 55.5±12.4 °C Molar Refractivity 22.1±0.3 cm3 Polarizability 8.8±0.5 10-24cm3 Surface Tension 32.6±3.0 dyne/cm Molar Volume 89.2±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Boiling … Continue reading "3-Oxobutanol C₄H₈O₂ structure"

a-Himachalene C₁₅H₂₄ structure

Molecular Formula C15H24 Average mass 204.351 Da Density 0.9±0.1 g/cm3 Boiling Point 268.4±20.0 °C at 760 mmHg Flash Point 104.9±16.6 °C Molar Refractivity 66.6±0.4 cm3 Polarizability 26.4±0.5 10-24cm3 Surface Tension 29.7±5.0 dyne/cm Molar Volume 228.5±5.0 cm3

Alexa Fluor 546 C₄₄H₄₆Cl₃N₄NaO₁₄S₃ structure

Molecular Formula C44H46Cl3N4NaO14S3 Average mass 1080.398 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 "Alexa Fluor 546 C₄₄H₄₆Cl₃N₄NaO₁₄S₃ structure"

1,3,5-Triazine-2,4-diamine C₃H₅N₅ structure

Molecular Formula C3H5N5 Average mass 111.105 Da Density 1.5±0.1 g/cm3 Boiling Point 447.6±28.0 °C at 760 mmHg Flash Point 254.9±11.2 °C Molar Refractivity 29.0±0.3 cm3 Polarizability 11.5±0.5 10-24cm3 Surface Tension 115.3±3.0 dyne/cm Molar Volume 73.7±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "1,3,5-Triazine-2,4-diamine C₃H₅N₅ structure"

4-(1,3-Dioxolan-2-yl)benzaldehyde C₁₀H₁₀O₃ structure

Molecular Formula C10H10O3 Average mass 178.185 Da Density 1.2±0.1 g/cm3 Boiling Point 311.2±37.0 °C at 760 mmHg Flash Point 133.0±12.9 °C Molar Refractivity 48.2±0.3 cm3 Polarizability 19.1±0.5 10-24cm3 Surface Tension 48.9±3.0 dyne/cm Molar Volume 146.7±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Gas Chromatography Retention Index (Kovats): 1514 (estimated with … Continue reading "4-(1,3-Dioxolan-2-yl)benzaldehyde C₁₀H₁₀O₃ structure"

cucurbit[5]uril C₃₀H₃₀N₂₀O₁₀ structure

Molecular Formula C30H30N20O10 Average mass 830.687 Da Density 2.6±0.1 g/cm3 Boiling Point Flash Point Molar Refractivity 186.9±0.4 cm3 Polarizability 74.1±0.5 10-24cm3 Surface Tension 302.2±5.0 dyne/cm Molar Volume 316.1±5.0 cm3

2-(Bromomethyl)thiophene C₅H₅BrS structure

Molecular Formula C5H5BrS Average mass 177.062 Da Density 1.6±0.1 g/cm3 Boiling Point 193.3±15.0 °C at 760 mmHg Flash Point 70.7±20.4 °C Molar Refractivity 37.3±0.3 cm3 Polarizability 14.8±0.5 10-24cm3 Surface Tension 44.1±3.0 dyne/cm Molar Volume 108.4±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Melting Point: -10 °C … Continue reading "2-(Bromomethyl)thiophene C₅H₅BrS structure"

Fluo-4 C₃₆H₃₀F₂N₂O₁₃ structure

Molecular Formula C36H30F2N2O13 Average mass 736.626 Da Density 1.6±0.1 g/cm3 Boiling Point 1026.1±65.0 °C at 760 mmHg Flash Point 574.4±34.3 °C Molar Refractivity 175.7±0.4 cm3 Polarizability 69.7±0.5 10-24cm3 Surface Tension 92.0±5.0 dyne/cm Molar Volume 449.4±5.0 cm3 Predicted – ACD/Labs Predicted – ChemAxon Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module Density: … Continue reading "Fluo-4 C₃₆H₃₀F₂N₂O₁₃ structure"

Salvarsan (trimer) C₁₈H₁₈As₃N₃O₃ structure

Molecular Formula C18H18As3N3O3 Average mass 549.119 Da Density Boiling Point 689.2±65.0 °C at 760 mmHg Flash Point 370.6±34.3 °C Molar Refractivity Polarizability Surface Tension Molar Volume Predicted – ACD/Labs Predicted – ChemAxon Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module Density: Boiling Point: 689.2±65.0 °C at 760 mmHg Vapour Pressure: 0.0±2.2 … Continue reading "Salvarsan (trimer) C₁₈H₁₈As₃N₃O₃ structure"

1-(Hexylsulfanyl)acetone C₉H₁₈OS structure

Molecular Formula C9H18OS Average mass 174.304 Da Density 0.9±0.1 g/cm3 Boiling Point 236.2±23.0 °C at 760 mmHg Flash Point 91.3±8.3 °C Molar Refractivity 51.8±0.3 cm3 Polarizability 20.5±0.5 10-24cm3 Surface Tension 31.5±3.0 dyne/cm Molar Volume 188.2±3.0 cm3 Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted data is generated using the ACD/Labs Percepta Platform – … Continue reading "1-(Hexylsulfanyl)acetone C₉H₁₈OS structure"

5-Deoxy-D-xylo-hexuronic acid C₆H₁₀O₆ structure

Molecular Formula C6H10O6 Average mass 178.140 Da Density 1.6±0.1 g/cm3 Boiling Point 453.6±45.0 °C at 760 mmHg Flash Point 242.3±25.2 °C Molar Refractivity 36.1±0.3 cm3 Polarizability 14.3±0.5 10-24cm3 Surface Tension 85.3±3.0 dyne/cm Molar Volume 113.2±3.0 cm3

cis-Carvone epoxide C₁₀H₁₄O₂ structure

Molecular Formula C10H14O2 Average mass 166.217 Da Density 1.1±0.1 g/cm3 Boiling Point 255.6±28.0 °C at 760 mmHg Flash Point 107.6±17.6 °C Molar Refractivity 45.4±0.3 cm3 Polarizability 18.0±0.5 10-24cm3 Surface Tension 35.9±3.0 dyne/cm Molar Volume 153.0±3.0 cm3

L,L-dityrosine C₁₈H₂₀N₂O₆ structure

Molecular Formula C18H20N2O6 Average mass 360.361 Da Density 1.5±0.1 g/cm3 Boiling Point 622.9±55.0 °C at 760 mmHg Flash Point 330.5±31.5 °C Molar Refractivity 93.1±0.3 cm3 Polarizability 36.9±0.5 10-24cm3 Surface Tension 79.7±3.0 dyne/cm Molar Volume 247.6±3.0 cm3

Sodium naphthalenide C₁₀H₈Na structure

Molecular Formula C10H8Na Average mass 151.160 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 "Sodium naphthalenide C₁₀H₈Na structure"

Hydrogen triphosphate HO₁₀P₃ structure

Molecular Formula HO10P3 Average mass 253.925 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 Density: Boiling Point: Vapour Pressure: Enthalpy of Vaporization: Flash Point: Index of Refraction: Molar Refractivity: #H bond acceptors: … Continue reading "Hydrogen triphosphate HO₁₀P₃ structure"

3-Methylpentanenitrile C₆H₁₁N structure

Molecular Formula C6H11N Average mass 97.158 Da Density 0.8±0.1 g/cm3 Boiling Point 150.2±8.0 °C at 760 mmHg Flash Point 46.0±4.3 °C Molar Refractivity 29.7±0.3 cm3 Polarizability 11.8±0.5 10-24cm3 Surface Tension 27.0±3.0 dyne/cm Molar Volume 121.3±3.0 cm3 Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted data is generated using the ACD/Labs Percepta Platform – … Continue reading "3-Methylpentanenitrile C₆H₁₁N structure"

Trihydrogen triphosphate H₃O₁₀P₃ structure

Molecular Formula H3O10P3 Average mass 255.940 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 Density: Boiling Point: Vapour Pressure: Enthalpy of Vaporization: Flash Point: Index of Refraction: Molar Refractivity: #H bond acceptors: … Continue reading "Trihydrogen triphosphate H₃O₁₀P₃ structure"

1,3-Cyclohexanedione C₆H₈O₂ structure

Molecular Formula C6H8O2 Average mass 112.127 Da Density 1.1±0.1 g/cm3 Boiling Point 235.1±23.0 °C at 760 mmHg Flash Point 85.7±19.6 °C Molar Refractivity 27.9±0.3 cm3 Polarizability 11.1±0.5 10-24cm3 Surface Tension 40.6±3.0 dyne/cm Molar Volume 99.4±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "1,3-Cyclohexanedione C₆H₈O₂ structure"

Cacodyl oxide C₄H₁₂As₂O structure

Molecular Formula C4H12As2O Average mass 225.981 Da Density Boiling Point 150.0±9.0 °C at 760 mmHg Flash Point 45.9±16.0 °C 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: 150.0±9.0 °C at 760 mmHg … Continue reading "Cacodyl oxide C₄H₁₂As₂O structure"

2-(Hydroxymethyl)-1,2,3,4-butanetetrol C₅H₁₂O₅ structure

Molecular Formula C5H12O5 Average mass 152.146 Da Density 1.5±0.1 g/cm3 Boiling Point 467.2±40.0 °C at 760 mmHg Flash Point 247.2±21.9 °C Molar Refractivity 32.8±0.3 cm3 Polarizability 13.0±0.5 10-24cm3 Surface Tension 92.6±3.0 dyne/cm Molar Volume 99.0±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Optical Rotation: 25 FooDB FDB011853 Predicted data … Continue reading "2-(Hydroxymethyl)-1,2,3,4-butanetetrol C₅H₁₂O₅ structure"

3-Methylbutanoic acid C₅H₁₀O₂ structure

Molecular Formula C5H10O2 Average mass 102.132 Da Density 1.0±0.1 g/cm3 Boiling Point 175.3±8.0 °C at 760 mmHg Flash Point 70.6±0.0 °C Molar Refractivity 26.7±0.3 cm3 Polarizability 10.6±0.5 10-24cm3 Surface Tension 31.0±3.0 dyne/cm Molar Volume 106.1±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "3-Methylbutanoic acid C₅H₁₀O₂ structure"

(+)-Nutlin-3 C₃₀H₃₀Cl₂N₄O₄ structure

Molecular Formula C30H30Cl2N4O4 Average mass 581.490 Da Density 1.4±0.1 g/cm3 Boiling Point Flash Point Molar Refractivity 155.2±0.5 cm3 Polarizability 61.5±0.5 10-24cm3 Surface Tension 49.4±7.0 dyne/cm Molar Volume 426.7±7.0 cm3

1-Chloro-3-methyl-2-butene C₅H₉Cl structure

Molecular Formula C5H9Cl Average mass 104.578 Da Density 0.9±0.1 g/cm3 Boiling Point 109.0±0.0 °C at 760 mmHg Flash Point 13.3±0.0 °C Molar Refractivity 30.0±0.3 cm3 Polarizability 11.9±0.5 10-24cm3 Surface Tension 22.7±3.0 dyne/cm Molar Volume 115.9±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Experimental Physico-chemical Properties Experimental Boiling Point: 107-109 °C … Continue reading "1-Chloro-3-methyl-2-butene C₅H₉Cl structure"

chlorophyll c2 C₃₅H₂₈MgN₄O₅ structure

Molecular Formula C35H28MgN4O5 Average mass 608.926 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 Density: Boiling Point: Vapour Pressure: Enthalpy of Vaporization: Flash Point: Index of Refraction: Molar Refractivity: #H bond acceptors: … Continue reading "chlorophyll c2 C₃₅H₂₈MgN₄O₅ structure"

3-Hydroxymethyl-phenol C₇H₈O₂ structure

Molecular Formula C7H8O2 Average mass 124.137 Da Density 1.2±0.1 g/cm3 Boiling Point 289.2±15.0 °C at 760 mmHg Flash Point 147.3±15.0 °C Molar Refractivity 34.6±0.3 cm3 Polarizability 13.7±0.5 10-24cm3 Surface Tension 54.2±3.0 dyne/cm Molar Volume 101.7±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "3-Hydroxymethyl-phenol C₇H₈O₂ structure"

Aspirin C₉H₈O₄ structure

Molecular Formula C9H8O4 Average mass 180.157 Da Density 1.3±0.1 g/cm3 Boiling Point 321.4±25.0 °C at 760 mmHg Flash Point 131.2±16.7 °C Molar Refractivity 44.5±0.3 cm3 Polarizability 17.7±0.5 10-24cm3 Surface Tension 49.9±3.0 dyne/cm Molar Volume 139.6±3.0 cm3 Experimental data Predicted – ACD/Labs Predicted – EPISuite Predicted – ChemAxon Predicted – Mcule Experimental Physico-chemical Properties Experimental Melting … Continue reading "Aspirin C₉H₈O₄ structure"

(²⁰⁶Po)Polonium ²⁰⁶Po structure

Molecular Formula 206Po Average mass 205.980 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 "(²⁰⁶Po)Polonium ²⁰⁶Po structure"