ChemSpider 2D Image | (2E)-3-{3,4-Dihydroxy-5-[(~2~H_3_)methyloxy]phenyl}acrylic acid | C10H7D3O5

(2E)-3-{3,4-Dihydroxy-5-[(2H3)methyloxy]phenyl}acrylic acid

  • Molecular FormulaC10H7D3O5
  • Average mass213.202 Da
  • Monoisotopic mass213.071655 Da
  • ChemSpider ID17267321

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2E)-3-{3,4-Dihydroxy-5-[(2H3)methyloxy]phenyl}acrylic acid [ACD/IUPAC Name]
(2E)-3-{3,4-Dihydroxy-5-[(2H3)methyloxy]phenyl}acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[3,4-dihydroxy-5-(methyl-d3-oxy)phenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{3,4-dihydroxy-5-[(2H3)méthyloxy]phényl}acrylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 449.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 182.8±22.2 °C
Index of Refraction: 1.665
Molar Refractivity: 54.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.31
ACD/LogD (pH 5.5): -0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.72
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 145.9±3.0 cm3

Click to predict properties on the Chemicalize site


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