ChemSpider 2D Image | Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-phenylpropanoate | C16H16O5

Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-phenylpropanoate

  • Molecular FormulaC16H16O5
  • Average mass288.295 Da
  • Monoisotopic mass288.099762 Da
  • ChemSpider ID29772404

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-phénylpropanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-methyl-4-oxo-β-phenyl-, methyl ester [ACD/Index Name]
Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-phenylpropanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-phenylpropanoat [German] [ACD/IUPAC Name]
1574464-36-0 [RN]
MCULE-6788973740
methyl 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-phenylpropanoate
MolPort-028-856-241

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 476.3±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.9±3.0 kJ/mol
    Flash Point: 176.7±22.2 °C
    Index of Refraction: 1.587
    Molar Refractivity: 75.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): 1.74
    ACD/BCF (pH 5.5): 12.31
    ACD/KOC (pH 5.5): 209.65
    ACD/LogD (pH 7.4): 1.63
    ACD/BCF (pH 7.4): 9.73
    ACD/KOC (pH 7.4): 165.74
    Polar Surface Area: 73 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 53.5±3.0 dyne/cm
    Molar Volume: 223.6±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement