ChemSpider 2D Image | Methyl 3-(2-hydroxy-4-methoxyphenyl)-3-oxopropanoate | C11H12O5

Methyl 3-(2-hydroxy-4-methoxyphenyl)-3-oxopropanoate

  • Molecular FormulaC11H12O5
  • Average mass224.210 Da
  • Monoisotopic mass224.068466 Da
  • ChemSpider ID21107980

More details:

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

132017-98-2 [RN]
3-(2-Hydroxy-4-méthoxyphényl)-3-oxopropanoate de méthyle [French] [ACD/IUPAC Name]
3-(2-Hydroxy-4-methoxy-phenyl)-3-oxo-propionic acid methyl ester
Benzenepropanoic acid, 2-hydroxy-4-methoxy-β-oxo-, methyl ester [ACD/Index Name]
Methyl 3-(2-hydroxy-4-methoxyphenyl)-3-oxopropanoate [ACD/IUPAC Name]
Methyl-3-(2-hydroxy-4-methoxyphenyl)-3-oxopropanoat [German] [ACD/IUPAC Name]
[132017-98-2] [RN]
3-(2-hydroxy-4-methoxyphenyl)-3-oxopropanoic acid methyl ester
3-(2-HYDROXY-4-METHOXY-PHENYL)-3-OXO-PROPANOIC ACID METHYL ESTER
3-(2-Hydroxy-4-methoxyphenyl)-3-oxo-propionic acid methyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 354.8±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 62.3±3.0 kJ/mol
    Flash Point: 136.5±17.2 °C
    Index of Refraction: 1.534
    Molar Refractivity: 55.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.83
    ACD/LogD (pH 5.5): 1.99
    ACD/BCF (pH 5.5): 19.22
    ACD/KOC (pH 5.5): 288.38
    ACD/LogD (pH 7.4): 1.86
    ACD/BCF (pH 7.4): 14.24
    ACD/KOC (pH 7.4): 213.67
    Polar Surface Area: 73 Å2
    Polarizability: 22.2±0.5 10-24cm3
    Surface Tension: 46.0±3.0 dyne/cm
    Molar Volume: 179.9±3.0 cm3

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