ChemSpider 2D Image | Methyl 3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)propanoate | C20H22O9

Methyl 3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)propanoate

  • Molecular FormulaC20H22O9
  • Average mass406.383 Da
  • Monoisotopic mass406.126373 Da
  • ChemSpider ID34497549

More details:

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

2H-Pyran-3-propanoic acid, β-[4-(acetyloxy)-3,5-dimethoxyphenyl]-4-hydroxy-6-methyl-2-oxo-, methyl ester [ACD/Index Name]
3-(4-Acétoxy-3,5-diméthoxyphényl)-3-(4-hydroxy-6-méthyl-2-oxo-2H-pyran-3-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(4-acetoxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)propanoat [German] [ACD/IUPAC Name]
1676085-34-9 [RN]
methyl 3-(4-acetyloxy-3,5-dimethoxyphenyl)-3-(4-hydroxy-6-methyl-2-oxopyran-3-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: 528.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.6±3.0 kJ/mol
    Flash Point: 181.1±23.6 °C
    Index of Refraction: 1.559
    Molar Refractivity: 99.8±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.39
    ACD/LogD (pH 5.5): 1.11
    ACD/BCF (pH 5.5): 2.95
    ACD/KOC (pH 5.5): 51.04
    ACD/LogD (pH 7.4): -0.63
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 118 Å2
    Polarizability: 39.6±0.5 10-24cm3
    Surface Tension: 50.9±3.0 dyne/cm
    Molar Volume: 309.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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