ChemSpider 2D Image | Methyl 3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)propanoate | C19H20O8

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

  • Molecular FormulaC19H20O8
  • Average mass376.357 Da
  • Monoisotopic mass376.115814 Da
  • ChemSpider ID34497570

More details:

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

1,3-Benzodioxole-5-propanoic acid, 6-hydroxy-β-(4-hydroxy-3,5-dimethoxyphenyl)-, methyl ester [ACD/Index Name]
3-(6-Hydroxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-3,5-diméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1676096-71-1 [RN]
methyl 3-(4-hydroxy-3,5-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: 1.4±0.1 g/cm3
    Boiling Point: 551.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.3±3.0 kJ/mol
    Flash Point: 196.3±23.6 °C
    Index of Refraction: 1.594
    Molar Refractivity: 94.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.62
    ACD/LogD (pH 5.5): 2.29
    ACD/BCF (pH 5.5): 32.12
    ACD/KOC (pH 5.5): 417.04
    ACD/LogD (pH 7.4): 2.28
    ACD/BCF (pH 7.4): 31.86
    ACD/KOC (pH 7.4): 413.59
    Polar Surface Area: 104 Å2
    Polarizability: 37.5±0.5 10-24cm3
    Surface Tension: 55.3±3.0 dyne/cm
    Molar Volume: 278.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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