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

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

  • Molecular FormulaC16H16O5
  • Average mass288.295 Da
  • Monoisotopic mass288.099762 Da
  • ChemSpider ID34497255

More details:

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

2H-Pyran-3-propanoic acid, 4-hydroxy-6-methyl-2-oxo-β-phenyl-, methyl ester [ACD/Index Name]
3-(4-Hydroxy-6-méthyl-2-oxo-2H-pyran-3-yl)-3-phénylpropanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-phenylpropanoate [ACD/IUPAC Name]
Methyl-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-phenylpropanoat [German] [ACD/IUPAC Name]
1676083-21-8 [RN]
methyl 3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-phenylpropanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 450.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.8±3.0 kJ/mol
    Flash Point: 165.8±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: 2.52
    ACD/LogD (pH 5.5): 1.67
    ACD/BCF (pH 5.5): 8.19
    ACD/KOC (pH 5.5): 111.21
    ACD/LogD (pH 7.4): -0.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.10
    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


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