ChemSpider 2D Image | Methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-(2,3,4-trimethoxyphenyl)propanoate | C28H26O9

Methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-(2,3,4-trimethoxyphenyl)propanoate

  • Molecular FormulaC28H26O9
  • Average mass506.501 Da
  • Monoisotopic mass506.157684 Da
  • ChemSpider ID29771367

More details:

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

3-[7-Hydroxy-3-(4-hydroxyphényl)-4-oxo-4H-chromén-8-yl]-3-(2,3,4-triméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-8-propanoic acid, 7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-β-(2,3,4-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
Methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-(2,3,4-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-3-(2,3,4-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1574406-72-6 [RN]
MCULE-7600071069
methyl 3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3-(2,3,4-trimethoxyphenyl)propanoate
MolPort-028-855-188

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 713.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.4 mmHg at 25°C
    Enthalpy of Vaporization: 108.0±3.0 kJ/mol
    Flash Point: 237.9±26.4 °C
    Index of Refraction: 1.615
    Molar Refractivity: 133.0±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 3.76
    ACD/LogD (pH 5.5): 3.74
    ACD/BCF (pH 5.5): 405.10
    ACD/KOC (pH 5.5): 2506.62
    ACD/LogD (pH 7.4): 2.93
    ACD/BCF (pH 7.4): 62.06
    ACD/KOC (pH 7.4): 383.97
    Polar Surface Area: 121 Å2
    Polarizability: 52.7±0.5 10-24cm3
    Surface Tension: 54.9±3.0 dyne/cm
    Molar Volume: 381.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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