ChemSpider 2D Image | Methyl 1-(3,4-dimethoxyphenyl)-4-oxocyclohexanecarboxylate | C16H20O5

Methyl 1-(3,4-dimethoxyphenyl)-4-oxocyclohexanecarboxylate

  • Molecular FormulaC16H20O5
  • Average mass292.327 Da
  • Monoisotopic mass292.131073 Da
  • ChemSpider ID28553233

More details:

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

1-(3,4-Diméthoxyphényl)-4-oxocyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
1385694-65-4 [RN]
Cyclohexanecarboxylic acid, 1-(3,4-dimethoxyphenyl)-4-oxo-, methyl ester [ACD/Index Name]
Methyl 1-(3,4-dimethoxyphenyl)-4-oxocyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-1-(3,4-dimethoxyphenyl)-4-oxocyclohexancarboxylat [German] [ACD/IUPAC Name]
[1385694-65-4] [RN]
AC4943
MFCD22423114 [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: 412.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.5±3.0 kJ/mol
    Flash Point: 213.7±16.7 °C
    Index of Refraction: 1.521
    Molar Refractivity: 76.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.77
    ACD/LogD (pH 5.5): 1.76
    ACD/BCF (pH 5.5): 12.74
    ACD/KOC (pH 5.5): 215.09
    ACD/LogD (pH 7.4): 1.76
    ACD/BCF (pH 7.4): 12.74
    ACD/KOC (pH 7.4): 215.09
    Polar Surface Area: 62 Å2
    Polarizability: 30.3±0.5 10-24cm3
    Surface Tension: 41.9±3.0 dyne/cm
    Molar Volume: 251.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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