ChemSpider 2D Image | 4-{5-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl]-2-furyl}benzoic acid | C24H18O8

4-{5-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl]-2-furyl}benzoic acid

  • Molecular FormulaC24H18O8
  • Average mass434.395 Da
  • Monoisotopic mass434.100159 Da
  • ChemSpider ID32510721

More details:

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

2H-1-Benzopyran-3-propanoic acid, β-[5-(4-carboxyphenyl)-2-furanyl]-4-hydroxy-2-oxo-, α-methyl ester [ACD/Index Name]
4-{5-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl]-2-furyl}benzoesäure [German] [ACD/IUPAC Name]
4-{5-[1-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-3-methoxy-3-oxopropyl]-2-furyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{5-[1-(4-hydroxy-2-oxo-2H-chromén-3-yl)-3-méthoxy-3-oxopropyl]-2-furyl}benzoïque [French] [ACD/IUPAC Name]
1630836-62-2 [RN]
4-[5-[1-(4-hydroxy-2-oxochromen-3-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: 663.0±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.5±3.0 kJ/mol
    Flash Point: 354.7±31.5 °C
    Index of Refraction: 1.647
    Molar Refractivity: 110.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.73
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 6.77
    ACD/KOC (pH 5.5): 29.08
    ACD/LogD (pH 7.4): 0.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 123 Å2
    Polarizability: 43.6±0.5 10-24cm3
    Surface Tension: 65.3±3.0 dyne/cm
    Molar Volume: 302.7±3.0 cm3

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