ChemSpider 2D Image | Methyl 3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-phenylpropanoate | C17H16O5

Methyl 3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-phenylpropanoate

  • Molecular FormulaC17H16O5
  • Average mass300.306 Da
  • Monoisotopic mass300.099762 Da
  • ChemSpider ID34497122

More details:

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

1,3-Benzodioxole-5-propanoic acid, 6-hydroxy-β-phenyl-, methyl ester [ACD/Index Name]
3-(6-Hydroxy-1,3-benzodioxol-5-yl)-3-phénylpropanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-phenylpropanoate [ACD/IUPAC Name]
Methyl-3-(6-hydroxy-1,3-benzodioxol-5-yl)-3-phenylpropanoat [German] [ACD/IUPAC Name]
1676078-30-0 [RN]
methyl 3-(6-hydroxybenzo[d][1,3]dioxol-5-yl)-3-phenylpropanoate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 454.5±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.1±3.0 kJ/mol
    Flash Point: 166.6±22.2 °C
    Index of Refraction: 1.599
    Molar Refractivity: 79.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.06
    ACD/LogD (pH 5.5): 3.03
    ACD/BCF (pH 5.5): 117.44
    ACD/KOC (pH 5.5): 1054.79
    ACD/LogD (pH 7.4): 3.02
    ACD/BCF (pH 7.4): 116.94
    ACD/KOC (pH 7.4): 1050.39
    Polar Surface Area: 65 Å2
    Polarizability: 31.4±0.5 10-24cm3
    Surface Tension: 54.7±3.0 dyne/cm
    Molar Volume: 232.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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