ChemSpider 2D Image | 4-Hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one | C19H16O5

4-Hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one

  • Molecular FormulaC19H16O5
  • Average mass324.327 Da
  • Monoisotopic mass324.099762 Da
  • ChemSpider ID23976060

More details:

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

2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]- [ACD/Index Name]
4-Hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one [ACD/IUPAC Name]
4-Hydroxy-3-[1-(3-hydroxyphényl)-3-oxobutyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
124952-36-9 [RN]
3???-hydroxy warfarin
3?-Hydroxy warfarin
3�?Hydroxy Warfarin
30992-81-5 [RN]
3'-Hydroxy Warfarin
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 579.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 91.3±3.0 kJ/mol
    Flash Point: 213.7±23.6 °C
    Index of Refraction: 1.659
    Molar Refractivity: 86.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.68
    ACD/LogD (pH 5.5): 1.58
    ACD/BCF (pH 5.5): 5.27
    ACD/KOC (pH 5.5): 57.87
    ACD/LogD (pH 7.4): -0.19
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 34.2±0.5 10-24cm3
    Surface Tension: 66.1±3.0 dyne/cm
    Molar Volume: 234.2±3.0 cm3

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