ChemSpider 2D Image | Methyl 3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(2,4,5-trimethoxyphenyl)propanoate | C20H22O8

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

  • Molecular FormulaC20H22O8
  • Average mass390.384 Da
  • Monoisotopic mass390.131470 Da
  • ChemSpider ID34497496

More details:

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

1,3-Benzodioxole-5-propanoic acid, 6-hydroxy-β-(2,4,5-trimethoxyphenyl)-, methyl ester [ACD/Index Name]
3-(6-Hydroxy-1,3-benzodioxol-5-yl)-3-(2,4,5-triméthoxyphényl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(2,4,5-trimethoxyphenyl)propanoate [ACD/IUPAC Name]
Methyl-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-(2,4,5-trimethoxyphenyl)propanoat [German] [ACD/IUPAC Name]
1676086-91-1 [RN]
methyl 3-(6-hydroxybenzo[d][1,3]dioxol-5-yl)-3-(2,4,5-trimethoxyphenyl)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: 558.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.2±3.0 kJ/mol
    Flash Point: 195.9±23.6 °C
    Index of Refraction: 1.567
    Molar Refractivity: 99.3±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.65
    ACD/LogD (pH 5.5): 2.70
    ACD/BCF (pH 5.5): 65.93
    ACD/KOC (pH 5.5): 697.75
    ACD/LogD (pH 7.4): 2.69
    ACD/BCF (pH 7.4): 65.58
    ACD/KOC (pH 7.4): 694.06
    Polar Surface Area: 93 Å2
    Polarizability: 39.4±0.5 10-24cm3
    Surface Tension: 48.2±3.0 dyne/cm
    Molar Volume: 304.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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