ChemSpider 2D Image | Ethyl (4S)-4-methyl-5-oxo-4,5-dihydro-1,2-oxazole-3-carboxylate | C7H9NO4

Ethyl (4S)-4-methyl-5-oxo-4,5-dihydro-1,2-oxazole-3-carboxylate

  • Molecular FormulaC7H9NO4
  • Average mass171.151 Da
  • Monoisotopic mass171.053162 Da
  • ChemSpider ID32786847

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-Méthyl-5-oxo-4,5-dihydro-1,2-oxazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Isoxazolecarboxylic acid, 4,5-dihydro-4-methyl-5-oxo-, ethyl ester, (4S)- [ACD/Index Name]
Ethyl (4S)-4-methyl-5-oxo-4,5-dihydro-1,2-oxazole-3-carboxylate [ACD/IUPAC Name]
Ethyl-(4S)-4-methyl-5-oxo-4,5-dihydro-1,2-oxazol-3-carboxylat [German] [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: 215.0±23.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.1±3.0 kJ/mol
Flash Point: 89.9±17.1 °C
Index of Refraction: 1.532
Molar Refractivity: 39.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.34
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 43.04
ACD/LogD (pH 7.4): 0.47
ACD/BCF (pH 7.4): 1.35
ACD/KOC (pH 7.4): 43.04
Polar Surface Area: 65 Å2
Polarizability: 15.6±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 127.2±7.0 cm3

Click to predict properties on the Chemicalize site


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