ChemSpider 2D Image | (1R,4S)-Bicyclo[2.2.1]hept-5-en-2-one | C7H8O

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

  • Molecular FormulaC7H8O
  • Average mass108.138 Da
  • Monoisotopic mass108.057518 Da
  • ChemSpider ID57575655

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,4S)-Bicyclo[2.2.1]hept-5-en-2-on [German] [ACD/IUPAC Name]
(1R,4S)-Bicyclo[2.2.1]hept-5-en-2-one [ACD/IUPAC Name]
(1R,4S)-Bicyclo[2.2.1]hept-5-én-2-one [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]hept-5-en-2-one, (1R,4S)- [ACD/Index Name]
1932163-14-8 [RN]
694-98-4 [RN]
Bicyclo[2.2.1]hept-5-en-2-one [ACD/Index Name] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 182.1±9.0 °C at 760 mmHg
Vapour Pressure: 0.8±0.3 mmHg at 25°C
Enthalpy of Vaporization: 41.8±3.0 kJ/mol
Flash Point: 63.5±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: 0.42
ACD/LogD (pH 5.5): 0.95
ACD/BCF (pH 5.5): 3.13
ACD/KOC (pH 5.5): 78.71
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 3.13
ACD/KOC (pH 7.4): 78.71
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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