ChemSpider 2D Image | Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(2,3,4-trimethoxyphenyl)propanoate | C19H22O8

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

  • Molecular FormulaC19H22O8
  • Average mass378.373 Da
  • Monoisotopic mass378.131470 Da
  • ChemSpider ID29771730

More details:

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

3-(3-Hydroxy-6-méthyl-4-oxo-4H-pyran-2-yl)-3-(2,3,4-triméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-methyl-4-oxo-β-(2,3,4-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(2,3,4-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-(2,3,4-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1574493-01-8 [RN]
methyl 3-(3-hydroxy-6-methyl-4-oxopyran-2-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: 561.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.8±3.0 kJ/mol
    Flash Point: 197.6±23.6 °C
    Index of Refraction: 1.557
    Molar Refractivity: 95.2±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.09
    ACD/LogD (pH 5.5): 1.55
    ACD/BCF (pH 5.5): 8.80
    ACD/KOC (pH 5.5): 164.93
    ACD/LogD (pH 7.4): 1.42
    ACD/BCF (pH 7.4): 6.64
    ACD/KOC (pH 7.4): 124.31
    Polar Surface Area: 101 Å2
    Polarizability: 37.7±0.5 10-24cm3
    Surface Tension: 48.7±3.0 dyne/cm
    Molar Volume: 295.6±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement