ChemSpider 2D Image | 5,7-Dihydroxy-2-{4-hydroxy-3-[(~2~H_3_)methyloxy]phenyl}-4H-chromen-4-one | C16H9D3O6

5,7-Dihydroxy-2-{4-hydroxy-3-[(2H3)methyloxy]phenyl}-4H-chromen-4-one

  • Molecular FormulaC16H9D3O6
  • Average mass303.281 Da
  • Monoisotopic mass303.082214 Da
  • ChemSpider ID48057610

  • Non-standard isotope - Non-standard isotope

More details:

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

4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-[4-hydroxy-3-(methyl-d3-oxy)phenyl]- [ACD/Index Name]
5,7-Dihydroxy-2-{4-hydroxy-3-[(2H3)methyloxy]phenyl}-4H-chromen-4-on [German] [ACD/IUPAC Name]
5,7-Dihydroxy-2-{4-hydroxy-3-[(2H3)methyloxy]phenyl}-4H-chromen-4-one [ACD/IUPAC Name]
5,7-Dihydroxy-2-{4-hydroxy-3-[(2H3)méthyloxy]phényl}-4H-chromén-4-one [French] [ACD/IUPAC Name]
1794941-48-2 [RN]
5,7-dihydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]chromen-4-one
chrysoeriol-d3

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 574.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.2±3.0 kJ/mol
    Flash Point: 219.4±23.6 °C
    Index of Refraction: 1.697
    Molar Refractivity: 76.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.81
    ACD/LogD (pH 5.5): 2.41
    ACD/BCF (pH 5.5): 38.65
    ACD/KOC (pH 5.5): 457.19
    ACD/LogD (pH 7.4): 1.24
    ACD/BCF (pH 7.4): 2.63
    ACD/KOC (pH 7.4): 31.14
    Polar Surface Area: 96 Å2
    Polarizability: 30.3±0.5 10-24cm3
    Surface Tension: 72.8±3.0 dyne/cm
    Molar Volume: 198.6±3.0 cm3

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