ChemSpider 2D Image | 5-Methyl-3-(~2~H_5_)phenyl-1,2-oxazole-4-carboxylic acid | C11H4D5NO3

5-Methyl-3-(2H5)phenyl-1,2-oxazole-4-carboxylic acid

  • Molecular FormulaC11H4D5NO3
  • Average mass208.225 Da
  • Monoisotopic mass208.089630 Da
  • ChemSpider ID107440204

  • Non-standard isotope - Non-standard isotope

More details:

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

4-Isoxazolecarboxylic acid, 5-methyl-3-(phenyl-d5)- [ACD/Index Name]
5-Methyl-3-(2H5)phenyl-1,2-oxazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-3-(2H5)phenyl-1,2-oxazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-3-(2H5)phényl-1,2-oxazole-4-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 365.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.5±3.0 kJ/mol
Flash Point: 174.5±26.5 °C
Index of Refraction: 1.579
Molar Refractivity: 53.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 159.5±3.0 cm3

Click to predict properties on the Chemicalize site


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