ChemSpider 2D Image | (5S)-Bicyclo[3.2.0]hept-2-en-6-one | C7H8O

(5S)-Bicyclo[3.2.0]hept-2-en-6-one

  • Molecular FormulaC7H8O
  • Average mass108.138 Da
  • Monoisotopic mass108.057518 Da
  • ChemSpider ID57575649

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(5S)-Bicyclo[3.2.0]hept-2-en-6-on [German] [ACD/IUPAC Name]
(5S)-Bicyclo[3.2.0]hept-2-en-6-one [ACD/IUPAC Name]
(5S)-Bicyclo[3.2.0]hept-2-én-6-one [French] [ACD/IUPAC Name]
Bicyclo[3.2.0]hept-2-en-6-one, (5S)- [ACD/Index Name]
(±)-cis-Bicyclo[3.2.0]hept-2-en-6-one
13173-09-6 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 186.6±9.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.3±3.0 kJ/mol
Flash Point: 66.3±13.7 °C
Index of Refraction: 1.546
Molar Refractivity: 30.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.45
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.11
ACD/KOC (pH 5.5): 95.68
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.11
ACD/KOC (pH 7.4): 95.68
Polar Surface Area: 17 Å2
Polarizability: 11.9±0.5 10-24cm3
Surface Tension: 40.7±3.0 dyne/cm
Molar Volume: 95.0±3.0 cm3

Click to predict properties on the Chemicalize site


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