ChemSpider 2D Image | 4-Hydroxy-3-[1-(~2~H_5_)phenylpropyl]-2H-chromen-2-one | C18H11D5O3

4-Hydroxy-3-[1-(2H5)phenylpropyl]-2H-chromen-2-one

  • Molecular FormulaC18H11D5O3
  • Average mass285.349 Da
  • Monoisotopic mass285.141327 Da
  • ChemSpider ID48060430

  • 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-[1-(phenyl-d5)propyl]- [ACD/Index Name]
4-Hydroxy-3-[1-(2H5)phenylpropyl]-2H-chromen-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-[1-(2H5)phenylpropyl]-2H-chromen-2-one [ACD/IUPAC Name]
4-Hydroxy-3-[1-(2H5)phénylpropyl]-2H-chromén-2-one [French] [ACD/IUPAC Name]
121513-38-0 [RN]
4-hydroxy-3-[1-(2,3,4,5,6-pentadeuteriophenyl)propyl]chromen-2-one

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 463.2±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.3±3.0 kJ/mol
    Flash Point: 195.7±21.5 °C
    Index of Refraction: 1.638
    Molar Refractivity: 79.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 4.77
    ACD/LogD (pH 5.5): 2.79
    ACD/BCF (pH 5.5): 43.85
    ACD/KOC (pH 5.5): 263.83
    ACD/LogD (pH 7.4): 1.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 4.55
    Polar Surface Area: 47 Å2
    Polarizability: 31.6±0.5 10-24cm3
    Surface Tension: 55.8±3.0 dyne/cm
    Molar Volume: 222.1±3.0 cm3

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