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Search term: 2-(3,4-Dihydroxyphenyl)-3-hydroxy-8-methyl-4H-chromen-4-one (Found by approved synonym)
ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3-hydroxy-8-methyl-4H-chromen-4-one | C16H12O5

2-(3,4-Dihydroxyphenyl)-3-hydroxy-8-methyl-4H-chromen-4-one

  • Molecular FormulaC16H12O5
  • Average mass284.263 Da
  • Monoisotopic mass284.068481 Da
  • ChemSpider ID26232025

More details:

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

1313738-78-1 [RN]
2-(3,4-Dihydroxyphenyl)-3-hydroxy-8-methyl-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3-hydroxy-8-methyl-4H-chromen-4-one [ACD/IUPAC Name]
2-(3,4-Dihydroxyphényl)-3-hydroxy-8-méthyl-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3-hydroxy-8-methyl- [ACD/Index Name]
131373-87-0 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 529.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.7±3.0 kJ/mol
    Flash Point: 202.9±23.6 °C
    Index of Refraction: 1.725
    Molar Refractivity: 74.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.46
    ACD/LogD (pH 5.5): 2.82
    ACD/BCF (pH 5.5): 81.37
    ACD/KOC (pH 5.5): 810.93
    ACD/LogD (pH 7.4): 2.78
    ACD/BCF (pH 7.4): 75.02
    ACD/KOC (pH 7.4): 747.64
    Polar Surface Area: 87 Å2
    Polarizability: 29.5±0.5 10-24cm3
    Surface Tension: 78.5±3.0 dyne/cm
    Molar Volume: 187.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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