ChemSpider 2D Image | Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate | C19H20O8

Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate

  • Molecular FormulaC19H20O8
  • Average mass376.357 Da
  • Monoisotopic mass376.115814 Da
  • ChemSpider ID29771558

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-[4-(2-méthoxy-2-oxoéthoxy)phényl]propanoate de méthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-β-[4-(2-methoxy-2-oxoethoxy)phenyl]-6-methyl-4-oxo-, methyl ester [ACD/Index Name]
Methyl 3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoate [ACD/IUPAC Name]
Methyl-3-(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-yl)-3-[4-(2-methoxy-2-oxoethoxy)phenyl]propanoat [German] [ACD/IUPAC Name]
1574471-31-0 [RN]
methyl 3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-[4-(2-methoxy-2-oxoethoxy)phenyl]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: 563.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.1±3.0 kJ/mol
    Flash Point: 199.5±23.6 °C
    Index of Refraction: 1.567
    Molar Refractivity: 92.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 1.84
    ACD/LogD (pH 5.5): 1.61
    ACD/BCF (pH 5.5): 9.91
    ACD/KOC (pH 5.5): 179.60
    ACD/LogD (pH 7.4): 1.51
    ACD/BCF (pH 7.4): 7.81
    ACD/KOC (pH 7.4): 141.52
    Polar Surface Area: 108 Å2
    Polarizability: 36.8±0.5 10-24cm3
    Surface Tension: 53.7±3.0 dyne/cm
    Molar Volume: 284.1±3.0 cm3

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