ChemSpider 2D Image | Methyl 3-(1,3-benzodioxol-5-yl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate | C26H20O9

Methyl 3-(1,3-benzodioxol-5-yl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate

  • Molecular FormulaC26H20O9
  • Average mass476.432 Da
  • Monoisotopic mass476.110718 Da
  • ChemSpider ID30716981

More details:

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

3-(1,3-Benzodioxol-5-yl)-3-(5,6,7-trihydroxy-4-oxo-2-phényl-4H-chromén-8-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, β-1,3-benzodioxol-5-yl-5,6,7-trihydroxy-4-oxo-2-phenyl-, methyl ester [ACD/Index Name]
Methyl 3-(1,3-benzodioxol-5-yl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(1,3-benzodioxol-5-yl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoat [German] [ACD/IUPAC Name]
1574380-35-0 [RN]
methyl 3-(1,3-benzodioxol-5-yl)-3-(5,6,7-trihydroxy-4-oxo-2-phenylchromen-8-yl)propanoate
methyl 3-(benzo[d][1,3]dioxol-5-yl)-3-(5,6,7-trihydroxy-4-oxo-2-phenyl-4H-chromen-8-yl)propanoate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 747.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 112.8±3.0 kJ/mol
    Flash Point: 258.0±26.4 °C
    Index of Refraction: 1.684
    Molar Refractivity: 121.0±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.72
    ACD/LogD (pH 5.5): 4.07
    ACD/BCF (pH 5.5): 703.68
    ACD/KOC (pH 5.5): 3626.93
    ACD/LogD (pH 7.4): 2.94
    ACD/BCF (pH 7.4): 51.67
    ACD/KOC (pH 7.4): 266.31
    Polar Surface Area: 132 Å2
    Polarizability: 48.0±0.5 10-24cm3
    Surface Tension: 70.8±3.0 dyne/cm
    Molar Volume: 318.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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