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

4-{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 ID29772133

More details:

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

4-{5-[1-(5,7-Dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-methoxy-3-oxopropyl]-2-furyl}benzoesäure [German] [ACD/IUPAC Name]
4-{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-(4-carboxyphenyl)-2-furanyl]-5,7-dihydroxy-4-oxo-2-phenyl-, α-methyl ester [ACD/Index Name]
Acide 4-{5-[1-(5,7-dihydroxy-4-oxo-2-phényl-4H-chromén-8-yl)-3-méthoxy-3-oxopropyl]-2-furyl}benzoïque [French] [ACD/IUPAC Name]
1574337-96-4 [RN]
4-(5-(1-(5,7-dihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)-3-methoxy-3-oxopropyl)furan-2-yl)benzoic acid
4-[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: 741.6±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 113.5±3.0 kJ/mol
    Flash Point: 402.3±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: 5.15
    ACD/LogD (pH 5.5): 3.81
    ACD/BCF (pH 5.5): 206.71
    ACD/KOC (pH 5.5): 614.01
    ACD/LogD (pH 7.4): 1.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.42
    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

    Click to predict properties on the Chemicalize site


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