ChemSpider 2D Image | 5-Methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylic acid | C5H5NO4

5-Methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylic acid

  • Molecular FormulaC5H5NO4
  • Average mass143.098 Da
  • Monoisotopic mass143.021851 Da
  • ChemSpider ID27266732

More details:

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

16880-48-1 [RN]
4-Isoxazolecarboxylic acid, 2,3-dihydro-5-methyl-3-oxo- [ACD/Index Name]
5-Methyl-3-oxo-2,3-dihydro-1,2-oxazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-3-oxo-2,3-dihydro-1,2-oxazole-4-carboxylique [French] [ACD/IUPAC Name]
1,2(1,5)-Isoxazole, IOA3
2,3-dihydro-5-methyl-3-oxo-4-isoxazolecarboxylic acid
MFCD19229353

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

Density: 1.5±0.1 g/cm3
Boiling Point: 355.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 169.0±27.9 °C
Index of Refraction: 1.567
Molar Refractivity: 30.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): -1.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 84 Å2
Polarizability: 12.0±0.5 10-24cm3
Surface Tension: 72.2±3.0 dyne/cm
Molar Volume: 92.7±3.0 cm3

Click to predict properties on the Chemicalize site


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