ChemSpider 2D Image | 3-[4-(Ethoxycarbonyl)-1,3-oxazol-2-yl]-1,2,4-oxadiazole-5-carboxylic acid | C9H7N3O6

3-[4-(Ethoxycarbonyl)-1,3-oxazol-2-yl]-1,2,4-oxadiazole-5-carboxylic acid

  • Molecular FormulaC9H7N3O6
  • Average mass253.168 Da
  • Monoisotopic mass253.033478 Da
  • ChemSpider ID37563966

More details:

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

1,2,4-Oxadiazole-5-carboxylic acid, 3-[4-(ethoxycarbonyl)-2-oxazolyl]- [ACD/Index Name]
3-[4-(Ethoxycarbonyl)-1,3-oxazol-2-yl]-1,2,4-oxadiazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-[4-(Ethoxycarbonyl)-1,3-oxazol-2-yl]-1,2,4-oxadiazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 3-[4-(éthoxycarbonyl)-1,3-oxazol-2-yl]-1,2,4-oxadiazole-5-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 481.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 245.1±26.5 °C
Index of Refraction: 1.549
Molar Refractivity: 53.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.54
ACD/LogD (pH 5.5): -2.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 67.2±3.0 dyne/cm
Molar Volume: 166.9±3.0 cm3

Click to predict properties on the Chemicalize site


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