ChemSpider 2D Image | 7-Hydroxy-3-[4-hydroxy(3,5-~2~H_2_)phenyl](8-~2~H)-4H-chromen-4-one | C15H7D3O4

7-Hydroxy-3-[4-hydroxy(3,5-2H2)phenyl](8-2H)-4H-chromen-4-one

  • Molecular FormulaC15H7D3O4
  • Average mass257.256 Da
  • Monoisotopic mass257.076752 Da
  • ChemSpider ID10285604
  • Non-standard isotope - Non-standard isotope


More details:






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

4H-1-Benzopyran-4-one-8-d, 7-hydroxy-3-(4-hydroxyphenyl-3,5-d2)- [ACD/Index Name]
7-Hydroxy-3-[4-hydroxy(3,5-2H2)phenyl](8-2H)-4H-chromen-4-on [German] [ACD/IUPAC Name]
7-Hydroxy-3-[4-hydroxy(3,5-2H2)phenyl](8-2H)-4H-chromen-4-one [ACD/IUPAC Name]
7-Hydroxy-3-[4-hydroxy(3,5-2H2)phényl](8-2H)-4H-chromén-4-one [French] [ACD/IUPAC Name]
220930-96-1 [RN]
8-deuterio-3-(3,5-dideuterio-4-hydroxyphenyl)-7-hydroxychromen-4-one
daidzein-3,5,8-d3
DAIDZEIN-3',5',8-D3

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.4±0.1 g/cm3
    Boiling Point: 512.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.4±3.0 kJ/mol
    Flash Point: 201.2±23.6 °C
    Index of Refraction: 1.699
    Molar Refractivity: 68.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.78
    ACD/LogD (pH 5.5): 2.89
    ACD/BCF (pH 5.5): 92.60
    ACD/KOC (pH 5.5): 882.49
    ACD/LogD (pH 7.4): 2.38
    ACD/BCF (pH 7.4): 28.45
    ACD/KOC (pH 7.4): 271.15
    Polar Surface Area: 67 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 68.2±3.0 dyne/cm
    Molar Volume: 176.1±3.0 cm3

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