ChemSpider 2D Image | (3aS,9bR)-2-Methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole-6,7-diol | C13H17NO2

(3aS,9bR)-2-Methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole-6,7-diol

  • Molecular FormulaC13H17NO2
  • Average mass219.280 Da
  • Monoisotopic mass219.125931 Da
  • ChemSpider ID24207828

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aS,9bR)-2-Methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindol-6,7-diol [German] [ACD/IUPAC Name]
(3aS,9bR)-2-Methyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole-6,7-diol [ACD/IUPAC Name]
(3aS,9bR)-2-Méthyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole-6,7-diol [French] [ACD/IUPAC Name]
1H-Benz[e]isoindole-6,7-diol, 2,3,3a,4,5,9b-hexahydro-2-methyl-, (3aS,9bR)- [ACD/Index Name]
1H-Benz[e]isoindole-6,7-diol, 2,3,3a,4,5,9b-hexahydro-2-methyl-, trans- (9CI)
754146-36-6 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 375.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.7±3.0 kJ/mol
Flash Point: 200.7±26.5 °C
Index of Refraction: 1.616
Molar Refractivity: 62.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 44 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 178.4±3.0 cm3

Click to predict properties on the Chemicalize site


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