ChemSpider 2D Image | 2-Methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid | C16H14O4

2-Methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

  • Molecular FormulaC16H14O4
  • Average mass270.280 Da
  • Monoisotopic mass270.089203 Da
  • ChemSpider ID23367969

More details:

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

2-Methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonsäure [German] [ACD/IUPAC Name]
2-Methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid [ACD/IUPAC Name]
3-Benzofurancarboxylic acid, 4,5,6,7-tetrahydro-2-methyl-4-oxo-6-phenyl- [ACD/Index Name]
Acide 2-méthyl-4-oxo-6-phényl-4,5,6,7-tétrahydro-1-benzofurane-3-carboxylique [French] [ACD/IUPAC Name]
1114596-45-0 [RN]
2-Methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-benzofuran-3-carboxylic acid
2-methyl-4-oxo-6-phenyl-5,6,7-trihydrobenzo[1,2-b]furan-3-carboxylic acid
2-methyl-4-oxo-6-phenyl-6,7-dihydro-5H-1-benzofuran-3-carboxylic acid

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 464.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.4±3.0 kJ/mol
    Flash Point: 234.5±28.7 °C
    Index of Refraction: 1.603
    Molar Refractivity: 71.7±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.01
    ACD/LogD (pH 5.5): 2.12
    ACD/BCF (pH 5.5): 10.74
    ACD/KOC (pH 5.5): 72.86
    ACD/LogD (pH 7.4): 0.65
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.44
    Polar Surface Area: 68 Å2
    Polarizability: 28.4±0.5 10-24cm3
    Surface Tension: 53.3±3.0 dyne/cm
    Molar Volume: 208.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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