ChemSpider 2D Image | Methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(2,4,5-trimethoxyphenyl)propanoate | C22H22O8

Methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(2,4,5-trimethoxyphenyl)propanoate

  • Molecular FormulaC22H22O8
  • Average mass414.405 Da
  • Monoisotopic mass414.131470 Da
  • ChemSpider ID32512399

More details:

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

2H-1-Benzopyran-3-propanoic acid, 4-hydroxy-2-oxo-β-(2,4,5-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
3-(4-Hydroxy-2-oxo-2H-chromén-3-yl)-3-(2,4,5-triméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(2,4,5-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(2,4,5-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1630848-60-0 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 613.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.7±3.0 kJ/mol
    Flash Point: 213.5±25.0 °C
    Index of Refraction: 1.591
    Molar Refractivity: 106.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.59
    ACD/LogD (pH 5.5): 2.26
    ACD/BCF (pH 5.5): 17.43
    ACD/KOC (pH 5.5): 136.31
    ACD/LogD (pH 7.4): 0.50
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.35
    Polar Surface Area: 101 Å2
    Polarizability: 42.1±0.5 10-24cm3
    Surface Tension: 53.3±3.0 dyne/cm
    Molar Volume: 314.1±3.0 cm3

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