ChemSpider 2D Image | 3-{5-[1-(5,7-Dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-methoxy-3-oxopropyl]-2-furyl}benzoic acid | C30H22O9

3-{5-[1-(5,7-Dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-methoxy-3-oxopropyl]-2-furyl}benzoic acid

  • Molecular FormulaC30H22O9
  • Average mass526.490 Da
  • Monoisotopic mass526.126404 Da
  • ChemSpider ID29772057

More details:

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

3-{5-[1-(5,7-Dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-methoxy-3-oxopropyl]-2-furyl}benzoesäure [German] [ACD/IUPAC Name]
3-{5-[1-(5,7-Dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-methoxy-3-oxopropyl]-2-furyl}benzoic acid [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, β-[5-(3-carboxyphenyl)-2-furanyl]-5,7-dihydroxy-4-oxo-2-phenyl-, α-methyl ester [ACD/Index Name]
Acide 3-{5-[1-(5,7-dihydroxy-4-oxo-2-phényl-4H-chromén-8-yl)-3-méthoxy-3-oxopropyl]-2-furyl}benzoïque [French] [ACD/IUPAC Name]
1574319-08-6 [RN]
3-[5-[1-(5,7-dihydroxy-4-oxo-2-phenylchromen-8-yl)-3-methoxy-3-oxopropyl]furan-2-yl]benzoic acid

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 754.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 115.4±3.0 kJ/mol
    Flash Point: 410.1±32.9 °C
    Index of Refraction: 1.661
    Molar Refractivity: 136.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.23
    ACD/LogD (pH 5.5): 3.75
    ACD/BCF (pH 5.5): 178.27
    ACD/KOC (pH 5.5): 517.31
    ACD/LogD (pH 7.4): 1.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.47
    Polar Surface Area: 144 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 64.9±3.0 dyne/cm
    Molar Volume: 369.9±3.0 cm3

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