ChemSpider 2D Image | Methyl 3-(2,3,4-trimethoxyphenyl)propanoate | C13H18O5

Methyl 3-(2,3,4-trimethoxyphenyl)propanoate

  • Molecular FormulaC13H18O5
  • Average mass254.279 Da
  • Monoisotopic mass254.115417 Da
  • ChemSpider ID23081643

More details:

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

3-(2,3,4-Triméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2,3,4-trimethoxy-, methyl ester [ACD/Index Name]
Methyl 3-(2,3,4-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-(2,3,4-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1057673-90-1 [RN]
3-(2,3,4-Trimethoxy-phenyl)-propionic acid methyl ester
76474-95-8 [RN]
MFCD12972291 [MDL number]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 326.3±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.8±3.0 kJ/mol
    Flash Point: 140.3±26.5 °C
    Index of Refraction: 1.491
    Molar Refractivity: 66.9±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.70
    ACD/LogD (pH 5.5): 2.01
    ACD/BCF (pH 5.5): 19.79
    ACD/KOC (pH 5.5): 294.90
    ACD/LogD (pH 7.4): 2.01
    ACD/BCF (pH 7.4): 19.79
    ACD/KOC (pH 7.4): 294.90
    Polar Surface Area: 54 Å2
    Polarizability: 26.5±0.5 10-24cm3
    Surface Tension: 34.2±3.0 dyne/cm
    Molar Volume: 230.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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