ChemSpider 2D Image | Ethyl 3-(3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate | C19H22O8

Ethyl 3-(3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate

  • Molecular FormulaC19H22O8
  • Average mass378.373 Da
  • Monoisotopic mass378.131470 Da
  • ChemSpider ID27327134

More details:

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

3-(3,5-Diméthoxyphényl)-3-[3-hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, β-(3,5-dimethoxyphenyl)-3-hydroxy-6-(hydroxymethyl)-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-(3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoate [ACD/IUPAC Name]
Ethyl-3-(3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]propanoat [German] [ACD/IUPAC Name]
1324083-22-8 [RN]
ethyl 3-(3,5-dimethoxyphenyl)-3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]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: 608.8±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.1±3.0 kJ/mol
    Flash Point: 216.6±25.0 °C
    Index of Refraction: 1.574
    Molar Refractivity: 94.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 2.52
    ACD/LogD (pH 5.5): 1.58
    ACD/BCF (pH 5.5): 9.30
    ACD/KOC (pH 5.5): 171.55
    ACD/LogD (pH 7.4): 1.48
    ACD/BCF (pH 7.4): 7.40
    ACD/KOC (pH 7.4): 136.52
    Polar Surface Area: 112 Å2
    Polarizability: 37.5±0.5 10-24cm3
    Surface Tension: 54.6±3.0 dyne/cm
    Molar Volume: 286.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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