ChemSpider 2D Image | 4-Hydroxy-3-(methoxycarbonyl)-1,2-oxazole-5-carboxylic acid | C6H5NO6

4-Hydroxy-3-(methoxycarbonyl)-1,2-oxazole-5-carboxylic acid

  • Molecular FormulaC6H5NO6
  • Average mass187.107 Da
  • Monoisotopic mass187.011688 Da
  • ChemSpider ID61993821

More details:

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

3,5-Isoxazoledicarboxylic acid, 4-hydroxy-, 3-methyl ester [ACD/Index Name]
4-Hydroxy-3-(methoxycarbonyl)-1,2-oxazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-Hydroxy-3-(methoxycarbonyl)-1,2-oxazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 4-hydroxy-3-(méthoxycarbonyl)-1,2-oxazole-5-carboxylique [French] [ACD/IUPAC Name]
2092082-11-4 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 373.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.4±3.0 kJ/mol
Flash Point: 179.4±27.9 °C
Index of Refraction: 1.565
Molar Refractivity: 37.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): -2.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 110 Å2
Polarizability: 14.8±0.5 10-24cm3
Surface Tension: 75.9±3.0 dyne/cm
Molar Volume: 114.3±3.0 cm3

Click to predict properties on the Chemicalize site


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