ChemSpider 2D Image | (7R,8S,8aR,9aS)-11-Methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol | C19H16O3

(7R,8S,8aR,9aS)-11-Methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol

  • Molecular FormulaC19H16O3
  • Average mass292.328 Da
  • Monoisotopic mass292.109955 Da
  • ChemSpider ID21781824

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

syn-6-Methylchrysene-1,2-diol-3,4-epoxide
(7R,8S,8aR,9aS)-11-Methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxiren-7,8-diol [German] [ACD/IUPAC Name]
(7R,8S,8aR,9aS)-11-Methyl-7,8,8a,9a-tetrahydrochryseno[3,4-b]oxirene-7,8-diol [ACD/IUPAC Name]
(7R,8S,8aR,9aS)-11-Méthyl-7,8,8a,9a-tétrahydrochryséno[3,4-b]oxirène-7,8-diol [French] [ACD/IUPAC Name]
Chryseno[3,4-b]oxirene-7,8-diol, 7,8,8a,9a-tetrahydro-11-methyl-, (7R,8S,8aR,9aS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 571.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 299.3±30.1 °C
Index of Refraction: 1.787
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.79
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 164.87
ACD/KOC (pH 5.5): 1344.74
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 164.87
ACD/KOC (pH 7.4): 1344.74
Polar Surface Area: 53 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 204.5±3.0 cm3

Click to predict properties on the Chemicalize site


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