ChemSpider 2D Image | (1aS,7aR)-1a-(~2~H_3_)Methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione | C11H5D3O3

(1aS,7aR)-1a-(2H3)Methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione

  • Molecular FormulaC11H5D3O3
  • Average mass191.198 Da
  • Monoisotopic mass191.066177 Da
  • ChemSpider ID114811197

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1aS,7aR)-1a-(2H3)Methyl-1a,7a-dihydronaphtho[2,3-b]oxiren-2,7-dion [German] [ACD/IUPAC Name]
(1aS,7aR)-1a-(2H3)Methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione [ACD/IUPAC Name]
(1aS,7aR)-1a-(2H3)Méthyl-1a,7a-dihydronaphto[2,3-b]oxirène-2,7-dione [French] [ACD/IUPAC Name]
Naphth[2,3-b]oxirene-2,7-dione, 1a,7a-dihydro-1a-(methyl-d3)-, (1aS,7aR)- [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: 357.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 162.3±27.9 °C
Index of Refraction: 1.629
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.47
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.17
ACD/KOC (pH 5.5): 128.02
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.17
ACD/KOC (pH 7.4): 128.02
Polar Surface Area: 47 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 57.3±3.0 dyne/cm
Molar Volume: 133.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement