ChemSpider 2D Image | 1-[(1R,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl]ethanone | C9H12O

1-[(1R,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl]ethanone

  • Molecular FormulaC9H12O
  • Average mass136.191 Da
  • Monoisotopic mass136.088821 Da
  • ChemSpider ID60679251

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(1R,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl]ethanon [German] [ACD/IUPAC Name]
1-[(1R,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl]ethanone [ACD/IUPAC Name]
1-[(1R,2S,4S)-Bicyclo[2.2.1]hept-5-én-2-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(1R,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]- [ACD/Index Name]
1821743-31-0 [RN]
MFCD24691093

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

Density: 1.0±0.1 g/cm3
Boiling Point: 191.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.5±0.3 mmHg at 25°C
Enthalpy of Vaporization: 42.8±3.0 kJ/mol
Flash Point: 61.7±0.0 °C
Index of Refraction: 1.515
Molar Refractivity: 39.1±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 20.29
ACD/KOC (pH 5.5): 300.17
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 20.29
ACD/KOC (pH 7.4): 300.17
Polar Surface Area: 17 Å2
Polarizability: 15.5±0.5 10-24cm3
Surface Tension: 36.1±3.0 dyne/cm
Molar Volume: 129.8±3.0 cm3

Click to predict properties on the Chemicalize site


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