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Search term: IMFRSMYOCRHTKV (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 3-(2,4-dimethoxyphenyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate | C19H20O7

Methyl 3-(2,4-dimethoxyphenyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate

  • Molecular FormulaC19H20O7
  • Average mass360.358 Da
  • Monoisotopic mass360.120911 Da
  • ChemSpider ID34497084

More details:

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

1,3-Benzodioxole-5-propanoic acid, β-(2,4-dimethoxyphenyl)-6-hydroxy-, methyl ester [ACD/Index Name]
3-(2,4-Diméthoxyphényl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(2,4-dimethoxyphenyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(2,4-dimethoxyphenyl)-3-(6-hydroxy-1,3-benzodioxol-5-yl)propanoat [German] [ACD/IUPAC Name]
1676097-22-5 [RN]
methyl 3-(2,4-dimethoxyphenyl)-3-(6-hydroxybenzo[d][1,3]dioxol-5-yl)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: 535.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.3±3.0 kJ/mol
    Flash Point: 191.1±23.6 °C
    Index of Refraction: 1.575
    Molar Refractivity: 92.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 2.78
    ACD/LogD (pH 5.5): 2.89
    ACD/BCF (pH 5.5): 92.57
    ACD/KOC (pH 5.5): 889.64
    ACD/LogD (pH 7.4): 2.89
    ACD/BCF (pH 7.4): 92.15
    ACD/KOC (pH 7.4): 885.55
    Polar Surface Area: 83 Å2
    Polarizability: 36.7±0.5 10-24cm3
    Surface Tension: 49.9±3.0 dyne/cm
    Molar Volume: 280.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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