ChemSpider 2D Image | 4-[3-Methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl]benzoic acid | C26H20O9

4-[3-Methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl]benzoic acid

  • Molecular FormulaC26H20O9
  • Average mass476.432 Da
  • Monoisotopic mass476.110718 Da
  • ChemSpider ID30716939

More details:

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

4-[3-Methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl]benzoesäure [German] [ACD/IUPAC Name]
4-[3-Methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl]benzoic acid [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, β-(4-carboxyphenyl)-5,6,7-trihydroxy-4-oxo-2-phenyl-, α-methyl ester [ACD/Index Name]
Acide 4-[3-méthoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phényl-4H-chromén-8-yl)propyl]benzoïque [French] [ACD/IUPAC Name]
1574393-15-9 [RN]
4-(3-methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propyl)benzoic acid
4-[3-methoxy-3-oxo-1-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)propyl]benzoic acid
MolPort-029-885-103

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 785.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 119.9±3.0 kJ/mol
    Flash Point: 270.6±26.4 °C
    Index of Refraction: 1.685
    Molar Refractivity: 121.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.53
    ACD/LogD (pH 5.5): 3.05
    ACD/BCF (pH 5.5): 54.02
    ACD/KOC (pH 5.5): 227.77
    ACD/LogD (pH 7.4): 0.70
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.01
    Polar Surface Area: 151 Å2
    Polarizability: 48.3±0.5 10-24cm3
    Surface Tension: 73.5±3.0 dyne/cm
    Molar Volume: 320.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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