ChemSpider 2D Image | 3-(6-Bromo-2-oxo-2H-chromen-3-yl)propanoic acid | C12H9BrO4

3-(6-Bromo-2-oxo-2H-chromen-3-yl)propanoic acid

  • Molecular FormulaC12H9BrO4
  • Average mass297.102 Da
  • Monoisotopic mass295.968414 Da
  • ChemSpider ID35484426

More details:

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

1365939-04-3 [RN]
2H-1-Benzopyran-3-propanoic acid, 6-bromo-2-oxo- [ACD/Index Name]
3-(6-Brom-2-oxo-2H-chromen-3-yl)propansäure [German] [ACD/IUPAC Name]
3-(6-Bromo-2-oxo-2H-chromen-3-yl)propanoic acid [ACD/IUPAC Name]
Acide 3-(6-bromo-2-oxo-2H-chromén-3-yl)propanoïque [French] [ACD/IUPAC Name]
3-(6-Bromo-2-oxo-2H-chromen-3-yl)-propionic acid
3-(6-bromo-2-oxochromen-3-yl)propanoic acid
MFCD21646948

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 495.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.3±3.0 kJ/mol
    Flash Point: 253.4±28.7 °C
    Index of Refraction: 1.617
    Molar Refractivity: 63.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.00
    ACD/LogD (pH 5.5): 1.75
    ACD/BCF (pH 5.5): 6.61
    ACD/KOC (pH 5.5): 62.58
    ACD/LogD (pH 7.4): -0.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.01
    Polar Surface Area: 64 Å2
    Polarizability: 25.0±0.5 10-24cm3
    Surface Tension: 57.4±3.0 dyne/cm
    Molar Volume: 180.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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