ChemSpider 2D Image | 2-Oxo-2,3-dihydrobenzofuran-4-carboxylic acid | C9H6O4

2-Oxo-2,3-dihydrobenzofuran-4-carboxylic acid

  • Molecular FormulaC9H6O4
  • Average mass178.141 Da
  • Monoisotopic mass178.026611 Da
  • ChemSpider ID26546712

More details:

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

199122-01-5 [RN]
2-Oxo-2,3-dihydro-1-benzofuran-4-carbonsäure [German] [ACD/IUPAC Name]
2-Oxo-2,3-dihydro-1-benzofuran-4-carboxylic acid [ACD/IUPAC Name]
2-Oxo-2,3-dihydrobenzofuran-4-carboxylic acid
4-Benzofurancarboxylic acid, 2,3-dihydro-2-oxo- [ACD/Index Name]
Acide 2-oxo-2,3-dihydro-1-benzofurane-4-carboxylique [French] [ACD/IUPAC Name]
[199122-01-5] [RN]
1227577-13-0 [RN]
2,3-dihydro-2-oxo-4-Benzofurancarboxylic acid
2-Oxo-2,3-dihydro-benzofuran-4-carboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 393.0±31.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.8±3.0 kJ/mol
    Flash Point: 167.9±18.3 °C
    Index of Refraction: 1.635
    Molar Refractivity: 42.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): -0.56
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.43
    ACD/LogD (pH 7.4): -1.64
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 16.8±0.5 10-24cm3
    Surface Tension: 66.3±3.0 dyne/cm
    Molar Volume: 118.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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