ChemSpider 2D Image | (1R,4S)-Bicyclo[2.2.1]heptan-2-one | C7H10O

(1R,4S)-Bicyclo[2.2.1]heptan-2-one

  • Molecular FormulaC7H10O
  • Average mass110.154 Da
  • Monoisotopic mass110.073166 Da
  • ChemSpider ID16743760

  • 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]heptan-2-on [German] [ACD/IUPAC Name]
(1R,4S)-Bicyclo[2.2.1]heptan-2-one [ACD/IUPAC Name]
(1R,4S)-Bicyclo[2.2.1]heptan-2-one [French] [ACD/IUPAC Name]
Bicyclo[2.2.1]heptan-2-one, (1R,4S)- [ACD/Index Name]
2,5-Methanocyclohexanone
207-846-1 [EINECS]
29583-35-5 [RN]
2-Norbornanone
497-38-1 [RN]
Bicyclo[2.2.1]heptan-2-one [ACD/Index Name] [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 170.0±0.0 °C at 760 mmHg
    Vapour Pressure: 1.5±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 40.6±3.0 kJ/mol
    Flash Point: 33.9±0.0 °C
    Index of Refraction: 1.511
    Molar Refractivity: 30.5±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.62
    ACD/LogD (pH 5.5): 1.06
    ACD/BCF (pH 5.5): 3.79
    ACD/KOC (pH 5.5): 90.29
    ACD/LogD (pH 7.4): 1.06
    ACD/BCF (pH 7.4): 3.79
    ACD/KOC (pH 7.4): 90.29
    Polar Surface Area: 17 Å2
    Polarizability: 12.1±0.5 10-24cm3
    Surface Tension: 37.9±3.0 dyne/cm
    Molar Volume: 101.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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