ChemSpider 2D Image | 2-(1-Carboxy-1-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxylic acid | C8H9NO6

2-(1-Carboxy-1-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxylic acid

  • Molecular FormulaC8H9NO6
  • Average mass215.160 Da
  • Monoisotopic mass215.042984 Da
  • ChemSpider ID37559905

More details:

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

2-(1-Carboxy-1-hydroxyethyl)-5-methyl-1,3-oxazol-4-carbonsäure [German] [ACD/IUPAC Name]
2-(1-Carboxy-1-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxylic acid [ACD/IUPAC Name]
2-Oxazoleacetic acid, 4-carboxy-α-hydroxy-α,5-dimethyl- [ACD/Index Name]
Acide 2-(1-carboxy-1-hydroxyéthyl)-5-méthyl-1,3-oxazole-4-carboxylique [French] [ACD/IUPAC Name]
1516635-87-2 [RN]
MFCD26682576

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

Density: 1.6±0.1 g/cm3
Boiling Point: 458.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 230.8±28.7 °C
Index of Refraction: 1.577
Molar Refractivity: 45.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): -3.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 17.9±0.5 10-24cm3
Surface Tension: 75.0±3.0 dyne/cm
Molar Volume: 136.6±3.0 cm3

Click to predict properties on the Chemicalize site


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