ChemSpider 2D Image | 5-(1,2-Oxazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid | C6H3N3O4

5-(1,2-Oxazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid

  • Molecular FormulaC6H3N3O4
  • Average mass181.106 Da
  • Monoisotopic mass181.012360 Da
  • ChemSpider ID43362931

More details:

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

1,2,4-Oxadiazole-3-carboxylic acid, 5-(3-isoxazolyl)- [ACD/Index Name]
5-(1,2-Oxazol-3-yl)-1,2,4-oxadiazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-(1,2-Oxazol-3-yl)-1,2,4-oxadiazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-(1,2-oxazol-3-yl)-1,2,4-oxadiazole-3-carboxylique [French] [ACD/IUPAC Name]
1343426-68-5 [RN]
MFCD18344168

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

Density: 1.6±0.1 g/cm3
Boiling Point: 477.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.7±26.5 °C
Index of Refraction: 1.565
Molar Refractivity: 36.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.69
ACD/LogD (pH 5.5): -2.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 76.9±3.0 dyne/cm
Molar Volume: 112.5±3.0 cm3

Click to predict properties on the Chemicalize site


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