ChemSpider 2D Image | 4-Oxo-4H-chromene-7-carbonitrile | C10H5NO2

4-Oxo-4H-chromene-7-carbonitrile

  • Molecular FormulaC10H5NO2
  • Average mass171.152 Da
  • Monoisotopic mass171.032028 Da
  • ChemSpider ID34209849

More details:

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

4H-1-Benzopyran-7-carbonitrile, 4-oxo- [ACD/Index Name]
4-Oxo-4H-chromen-7-carbonitril [German] [ACD/IUPAC Name]
4-Oxo-4H-chromene-7-carbonitrile [ACD/IUPAC Name]
4-Oxo-4H-chromène-7-carbonitrile [French] [ACD/IUPAC Name]
102297-64-3 [RN]
MFCD24708407

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 327.6±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.0±3.0 kJ/mol
    Flash Point: 142.6±18.1 °C
    Index of Refraction: 1.627
    Molar Refractivity: 44.9±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.18
    ACD/LogD (pH 5.5): 1.42
    ACD/BCF (pH 5.5): 7.11
    ACD/KOC (pH 5.5): 141.75
    ACD/LogD (pH 7.4): 1.42
    ACD/BCF (pH 7.4): 7.11
    ACD/KOC (pH 7.4): 141.75
    Polar Surface Area: 50 Å2
    Polarizability: 17.8±0.5 10-24cm3
    Surface Tension: 60.4±5.0 dyne/cm
    Molar Volume: 126.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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