ChemSpider 2D Image | 5-(Methoxycarbonyl)bicyclo[3.2.2]nonane-1-carboxylic acid | C12H18O4

5-(Methoxycarbonyl)bicyclo[3.2.2]nonane-1-carboxylic acid

  • Molecular FormulaC12H18O4
  • Average mass226.269 Da
  • Monoisotopic mass226.120514 Da
  • ChemSpider ID34499743

More details:

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

5-(Methoxycarbonyl)bicyclo[3.2.2]nonan-1-carbonsäure [German] [ACD/IUPAC Name]
5-(Methoxycarbonyl)bicyclo[3.2.2]nonane-1-carboxylic acid [ACD/IUPAC Name]
Acide 5-(méthoxycarbonyl)bicyclo[3.2.2]nonane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[3.2.2]nonane-1,5-dicarboxylic acid, monomethyl ester [ACD/Index Name]
5-(methoxycarbonyl)bicyclo[3.2.2]nonane-1-carboxylicacid
942999-81-7 [RN]
Chemistry 20677
MFCD28502793

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 339.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 64.0±6.0 kJ/mol
    Flash Point: 126.2±19.4 °C
    Index of Refraction: 1.539
    Molar Refractivity: 56.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.92
    ACD/LogD (pH 5.5): 1.12
    ACD/BCF (pH 5.5): 2.38
    ACD/KOC (pH 5.5): 33.59
    ACD/LogD (pH 7.4): -0.69
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 22.4±0.5 10-24cm3
    Surface Tension: 55.7±3.0 dyne/cm
    Molar Volume: 180.1±3.0 cm3

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