ChemSpider 2D Image | 4-Hydroxy-3-[(1E)-3-oxo-1-(~2~H_5_)phenyl-1-buten-1-yl]-2H-chromen-2-one | C19H9D5O4

4-Hydroxy-3-[(1E)-3-oxo-1-(2H5)phenyl-1-buten-1-yl]-2H-chromen-2-one

  • Molecular FormulaC19H9D5O4
  • Average mass311.343 Da
  • Monoisotopic mass311.120605 Da
  • ChemSpider ID48058039

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

2H-1-Benzopyran-2-one, 4-hydroxy-3-[(1E)-3-oxo-1-(phenyl-d5)-1-buten-1-yl]- [ACD/Index Name]
4-Hydroxy-3-[(1E)-3-oxo-1-(2H5)phenyl-1-buten-1-yl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-[(1E)-3-oxo-1-(2H5)phenyl-1-buten-1-yl]-2H-chromen-2-one [ACD/IUPAC Name]
4-Hydroxy-3-[(1E)-3-oxo-1-(2H5)phényl-1-butén-1-yl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
1346606-43-6 [RN]
4-hydroxy-3-[(E)-3-oxo-1-(2,3,4,5,6-pentadeuteriophenyl)but-1-enyl]chromen-2-one
dehydro warfarin-d5

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 528.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.5±3.0 kJ/mol
    Flash Point: 195.3±23.6 °C
    Index of Refraction: 1.659
    Molar Refractivity: 84.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.85
    ACD/LogD (pH 5.5): 2.03
    ACD/BCF (pH 5.5): 11.56
    ACD/KOC (pH 5.5): 101.63
    ACD/LogD (pH 7.4): 0.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.75
    Polar Surface Area: 64 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 59.3±3.0 dyne/cm
    Molar Volume: 230.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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