ChemSpider 2D Image | Methyl sinapate | C12H14O5

Methyl sinapate

  • Molecular FormulaC12H14O5
  • Average mass238.237 Da
  • Monoisotopic mass238.084122 Da
  • ChemSpider ID20479350

More details:

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

2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, methyl ester [ACD/Index Name]
3-(4-Hydroxy-3,5-diméthoxyphényl)acrylate de méthyle [French] [ACD/IUPAC Name]
3,5-Dimethoxy-4-hydroxy cinnamic acid methyl ester
Methyl 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylate [ACD/IUPAC Name]
Methyl sinapate
Methyl-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylat [German] [ACD/IUPAC Name]
O-Methylsinapate
O-Methylsinapic acid
trans-Sinapic acid methylester
20733-94-2 [RN]
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 372.3±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.4±3.0 kJ/mol
    Flash Point: 140.6±20.0 °C
    Index of Refraction: 1.562
    Molar Refractivity: 63.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.05
    ACD/LogD (pH 5.5): 1.31
    ACD/BCF (pH 5.5): 5.87
    ACD/KOC (pH 5.5): 123.54
    ACD/LogD (pH 7.4): 1.30
    ACD/BCF (pH 7.4): 5.69
    ACD/KOC (pH 7.4): 119.79
    Polar Surface Area: 65 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 42.7±3.0 dyne/cm
    Molar Volume: 196.8±3.0 cm3

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