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Search term: AIILWHFXPZFAFE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoate | C22H22O8

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

  • Molecular FormulaC22H22O8
  • Average mass414.405 Da
  • Monoisotopic mass414.131470 Da
  • ChemSpider ID32512383

More details:

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

2H-1-Benzopyran-3-propanoic acid, 4-hydroxy-2-oxo-β-(2,3,4-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
3-(4-Hydroxy-2-oxo-2H-chromén-3-yl)-3-(2,3,4-triméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1630841-31-4 [RN]
methyl 3-(4-hydroxy-2-oxochromen-3-yl)-3-(2,3,4-trimethoxyphenyl)propanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 604.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.5±3.0 kJ/mol
    Flash Point: 209.8±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: 3.44
    ACD/LogD (pH 5.5): 1.68
    ACD/BCF (pH 5.5): 6.30
    ACD/KOC (pH 5.5): 65.81
    ACD/LogD (pH 7.4): -0.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.13
    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

    Click to predict properties on the Chemicalize site


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