ChemSpider 2D Image | (2E)-3-(3,4-Dihydroxyphenyl)acrylic anhydride | C18H14O7

(2E)-3-(3,4-Dihydroxyphenyl)acrylic anhydride

  • Molecular FormulaC18H14O7
  • Average mass342.300 Da
  • Monoisotopic mass342.073944 Da
  • ChemSpider ID57257069

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(3,4-Dihydroxyphenyl)acrylic anhydride [ACD/IUPAC Name]
(2E)-3-(3,4-Dihydroxyphenyl)acrylsäureanhydrid [German] [ACD/IUPAC Name]
Anhydride (2E)-3-(3,4-dihydroxyphényl)acrylique [French] [ACD/IUPAC Name]
854237-32-4 [RN]
caffeic acid anhydride
Caffeic anhydride

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 659.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.5±3.0 kJ/mol
    Flash Point: 243.5±25.0 °C
    Index of Refraction: 1.742
    Molar Refractivity: 91.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.01
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 24.83
    ACD/KOC (pH 5.5): 346.84
    ACD/LogD (pH 7.4): 2.12
    ACD/BCF (pH 7.4): 23.66
    ACD/KOC (pH 7.4): 330.45
    Polar Surface Area: 124 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 80.2±3.0 dyne/cm
    Molar Volume: 226.6±3.0 cm3

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