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

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

  • Molecular FormulaC6H3N3O4
  • Average mass181.106 Da
  • Monoisotopic mass181.012360 Da
  • ChemSpider ID61364847

More details:

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

1,3,4-Oxadiazole-2-carboxylic acid, 5-(4-oxazolyl)- [ACD/Index Name]
5-(1,3-Oxazol-4-yl)-1,3,4-oxadiazol-2-carbonsäure [German] [ACD/IUPAC Name]
5-(1,3-Oxazol-4-yl)-1,3,4-oxadiazole-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-(1,3-oxazol-4-yl)-1,3,4-oxadiazole-2-carboxylique [French] [ACD/IUPAC Name]
1935346-67-0 [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: 450.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.7±3.0 kJ/mol
Flash Point: 225.9±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: -0.65
ACD/LogD (pH 5.5): -3.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
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


Advertisement