ChemSpider 2D Image | 5-Acetyl-5-(ethoxycarbonyl)-2-oxocyclohexanecarboxylic acid | C12H16O6

5-Acetyl-5-(ethoxycarbonyl)-2-oxocyclohexanecarboxylic acid

  • Molecular FormulaC12H16O6
  • Average mass256.252 Da
  • Monoisotopic mass256.094696 Da
  • ChemSpider ID58802320

More details:

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

1,3-Cyclohexanedicarboxylic acid, 1-acetyl-4-oxo-, 1-ethyl ester [ACD/Index Name]
5-Acetyl-5-(ethoxycarbonyl)-2-oxocyclohexancarbonsäure [German] [ACD/IUPAC Name]
5-Acetyl-5-(ethoxycarbonyl)-2-oxocyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 5-acétyl-5-(éthoxycarbonyl)-2-oxocyclohexanecarboxylique [French] [ACD/IUPAC Name]
2007916-26-7 [RN]
5-acetyl-5-(ethoxycarbonyl)-2-oxocyclohexane-1-carboxylic acid
MFCD30471850

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 428.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.0±6.0 kJ/mol
    Flash Point: 163.0±22.2 °C
    Index of Refraction: 1.501
    Molar Refractivity: 58.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.65
    ACD/LogD (pH 5.5): -2.27
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 98 Å2
    Polarizability: 23.2±0.5 10-24cm3
    Surface Tension: 51.6±3.0 dyne/cm
    Molar Volume: 199.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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