ChemSpider 2D Image | 6-Chloro-4,7-dimethyl-2-oxo-2H-chromene-3-carboxylic acid | C12H9ClO4

6-Chloro-4,7-dimethyl-2-oxo-2H-chromene-3-carboxylic acid

  • Molecular FormulaC12H9ClO4
  • Average mass252.650 Da
  • Monoisotopic mass252.018936 Da
  • ChemSpider ID35484317

More details:

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

1361003-82-8 [RN]
2H-1-Benzopyran-3-carboxylic acid, 6-chloro-4,7-dimethyl-2-oxo- [ACD/Index Name]
6-Chlor-4,7-dimethyl-2-oxo-2H-chromen-3-carbonsäure [German] [ACD/IUPAC Name]
6-Chloro-4,7-dimethyl-2-oxo-2H-chromene-3-carboxylic acid [ACD/IUPAC Name]
Acide 6-chloro-4,7-diméthyl-2-oxo-2H-chromène-3-carboxylique [French] [ACD/IUPAC Name]
6-chloro-4,7-dimethyl-2-oxochromene-3-carboxylic acid
MFCD21602309

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 435.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.9±3.0 kJ/mol
    Flash Point: 217.1±28.7 °C
    Index of Refraction: 1.612
    Molar Refractivity: 60.3±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.51
    ACD/LogD (pH 5.5): -0.33
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.48
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 64 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 56.5±3.0 dyne/cm
    Molar Volume: 173.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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