ChemSpider 2D Image | Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3-methoxyphenyl)propanoate | C18H20O7

Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3-methoxyphenyl)propanoate

  • Molecular FormulaC18H20O7
  • Average mass348.347 Da
  • Monoisotopic mass348.120911 Da
  • ChemSpider ID27327050

More details:

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

3-[3-Hydroxy-6-(hydroxyméthyl)-4-oxo-4H-pyran-2-yl]-3-(3-méthoxyphényl)propanoate d'éthyle [French] [ACD/IUPAC Name]
4H-Pyran-2-propanoic acid, 3-hydroxy-6-(hydroxymethyl)-β-(3-methoxyphenyl)-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3-methoxyphenyl)propanoate [ACD/IUPAC Name]
Ethyl-3-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl]-3-(3-methoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1324077-28-2 [RN]
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-(3-methoxyphenyl)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: 576.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.8±3.0 kJ/mol
    Flash Point: 208.4±23.6 °C
    Index of Refraction: 1.584
    Molar Refractivity: 88.0±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.72
    ACD/LogD (pH 5.5): 1.67
    ACD/BCF (pH 5.5): 11.04
    ACD/KOC (pH 5.5): 193.98
    ACD/LogD (pH 7.4): 1.59
    ACD/BCF (pH 7.4): 9.00
    ACD/KOC (pH 7.4): 158.18
    Polar Surface Area: 102 Å2
    Polarizability: 34.9±0.5 10-24cm3
    Surface Tension: 56.6±3.0 dyne/cm
    Molar Volume: 262.7±3.0 cm3

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