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Search term: 56868-12-3 (Found by synonym)
ChemSpider 2D Image | 1-Benzyl-4-oxocyclohexanecarboxylic acid | C14H16O3

1-Benzyl-4-oxocyclohexanecarboxylic acid

  • Molecular FormulaC14H16O3
  • Average mass232.275 Da
  • Monoisotopic mass232.109940 Da
  • ChemSpider ID15475830

More details:

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

1-Benzyl-4-oxocyclohexancarbonsäure [German] [ACD/IUPAC Name]
1-Benzyl-4-oxocyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 1-benzyl-4-oxocyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-oxo-1-(phenylmethyl)- [ACD/Index Name]
1-benzyl-4-oxocyclohexane-1-carboxylic acid
4-Oxo-1-(phenylmethyl)-cyclohexanecarboxylic acid
56868-12-3 [RN]
BS-17247
MFCD20257291 [MDL number]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 411.6±38.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.0±3.0 kJ/mol
    Flash Point: 216.9±23.3 °C
    Index of Refraction: 1.570
    Molar Refractivity: 63.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.94
    ACD/LogD (pH 5.5): 0.64
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 15.12
    ACD/LogD (pH 7.4): -1.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 54 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 53.2±3.0 dyne/cm
    Molar Volume: 191.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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