ChemSpider 2D Image | 2-Oxo-3-(~2~H_5_)phenylpropanoic acid | C9H3D5O3

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

  • Molecular FormulaC9H3D5O3
  • Average mass169.189 Da
  • Monoisotopic mass169.078735 Da
  • ChemSpider ID114811313

  • Non-standard isotope - Non-standard isotope

More details:

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

2-Oxo-3-(2H5)phenylpropanoic acid [ACD/IUPAC Name]
2-Oxo-3-(2H5)phenylpropansäure [German] [ACD/IUPAC Name]
Acide 2-oxo-3-(2H5)phénylpropanoïque [French] [ACD/IUPAC Name]
Benzene-2,3,4,5,6-d5-propanoic acid, α-oxo- [ACD/Index Name]
Phenyl-d5-pyruvic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 299.1±19.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 148.9±18.0 °C
Index of Refraction: 1.557
Molar Refractivity: 42.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -1.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 52.0±3.0 dyne/cm
Molar Volume: 130.5±3.0 cm3

Click to predict properties on the Chemicalize site


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