ChemSpider 2D Image | (1R,6S)-Bicyclo[4.1.0]hept-3-ene-2,5-dione | C7H6O2

(1R,6S)-Bicyclo[4.1.0]hept-3-ene-2,5-dione

  • Molecular FormulaC7H6O2
  • Average mass122.121 Da
  • Monoisotopic mass122.036781 Da
  • ChemSpider ID57618227

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,6S)-Bicyclo[4.1.0]hept-3-en-2,5-dion [German] [ACD/IUPAC Name]
(1R,6S)-Bicyclo[4.1.0]hept-3-ene-2,5-dione [ACD/IUPAC Name]
(1R,6S)-Bicyclo[4.1.0]hept-3-ène-2,5-dione [French] [ACD/IUPAC Name]
Bicyclo[4.1.0]hept-3-ene-2,5-dione, (1R,6S)- [ACD/Index Name]
53735-22-1 [RN]
Bicyclo[4.1.0]hept-3-ene-2,5-dione [ACD/Index Name] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 247.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 91.0±18.8 °C
Index of Refraction: 1.574
Molar Refractivity: 30.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.01
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.85
ACD/LogD (pH 7.4): -0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.85
Polar Surface Area: 34 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 91.5±3.0 cm3

Click to predict properties on the Chemicalize site


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