ChemSpider 2D Image | (1R,9S)-9-Methyl-8,11,12-trioxatricyclo[7.2.1.0~2,7~]dodeca-2,4,6-trien-10-one | C10H8O4

(1R,9S)-9-Methyl-8,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-10-one

  • Molecular FormulaC10H8O4
  • Average mass192.168 Da
  • Monoisotopic mass192.042252 Da
  • ChemSpider ID21185891

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,9S)-9-Methyl-8,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-10-on [German] [ACD/IUPAC Name]
(1R,9S)-9-Methyl-8,11,12-trioxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-10-one [ACD/IUPAC Name]
(1R,9S)-9-Méthyl-8,11,12-trioxatricyclo[7.2.1.02,7]dodéca-2,4,6-trién-10-one [French] [ACD/IUPAC Name]
2,5-Epoxy-5H-1,4-benzodioxepin-3(2H)-one, 2-methyl-, (2S,5R)- [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: 321.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.3±3.0 kJ/mol
Flash Point: 143.9±27.9 °C
Index of Refraction: 1.586
Molar Refractivity: 46.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 50.15
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.67
ACD/KOC (pH 7.4): 50.15
Polar Surface Area: 45 Å2
Polarizability: 18.3±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 137.1±3.0 cm3

Click to predict properties on the Chemicalize site


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