ChemSpider 2D Image | (5R)-3-Methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid | C5H7NO3

(5R)-3-Methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid

  • Molecular FormulaC5H7NO3
  • Average mass129.114 Da
  • Monoisotopic mass129.042587 Da
  • ChemSpider ID32798905

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5R)-3-Methyl-4,5-dihydro-1,2-oxazol-5-carbonsäure [German] [ACD/IUPAC Name]
(5R)-3-Methyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid [ACD/IUPAC Name]
5-Isoxazolecarboxylic acid, 4,5-dihydro-3-methyl-, (5R)- [ACD/Index Name]
Acide (5R)-3-méthyl-4,5-dihydro-1,2-oxazole-5-carboxylique [French] [ACD/IUPAC Name]
157123-43-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 267.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 55.7±6.0 kJ/mol
Flash Point: 115.6±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 29.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -2.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 59 Å2
Polarizability: 11.5±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 89.2±7.0 cm3

Click to predict properties on the Chemicalize site


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