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ChemSpider 2D Image | (2E)-3-{4-Hydroxy-3-[(~2~H_3_)methyloxy](2,5-~2~H_2_)phenyl}acrylic acid | C10H5D5O4

(2E)-3-{4-Hydroxy-3-[(2H3)methyloxy](2,5-2H2)phenyl}acrylic acid

  • Molecular FormulaC10H5D5O4
  • Average mass199.215 Da
  • Monoisotopic mass199.089294 Da
  • ChemSpider ID17267323
  • 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-{4-Hydroxy-3-[(2H3)methyloxy](2,5-2H2)phenyl}acrylic acid [ACD/IUPAC Name]
(2E)-3-{4-Hydroxy-3-[(2H3)methyloxy](2,5-2H2)phenyl}acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-hydroxy-3-(methyl-d3-oxy)phenyl-2,5-d2]-, (2E)- [ACD/Index Name]
Acide (2E)-3-{4-hydroxy-3-[(2H3)méthyloxy](2,5-2H2)phényl}acrylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 372.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 150.5±17.2 °C
Index of Refraction: 1.627
Molar Refractivity: 52.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.64
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.25
ACD/LogD (pH 7.4): -1.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 20.7±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 147.5±3.0 cm3

Click to predict properties on the Chemicalize site






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