ChemSpider 2D Image | 3-Hydroxy-3-(~2~H_5_)phenylpropanoic acid | C9H5D5O3

3-Hydroxy-3-(2H5)phenylpropanoic acid

  • Molecular FormulaC9H5D5O3
  • Average mass171.205 Da
  • Monoisotopic mass171.094376 Da
  • ChemSpider ID60597031
  • Non-standard isotope - Non-standard isotope


More details:






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

3-Hydroxy-3-(2H5)phenylpropanoic acid [ACD/IUPAC Name]
3-Hydroxy-3-(2H5)phenylpropansäure [German] [ACD/IUPAC Name]
Acide 3-hydroxy-3-(2H5)phénylpropanoïque [French] [ACD/IUPAC Name]
Benzene-2,3,4,5,6-d5-propanoic acid, β-hydroxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 329.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 167.2±21.1 °C
Index of Refraction: 1.576
Molar Refractivity: 43.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.22
ACD/LogD (pH 7.4): -2.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 131.6±3.0 cm3

Click to predict properties on the Chemicalize site






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