ChemSpider 2D Image | 4-Methyl-4H-imidazo[4,5-c][1,2,5]oxadiazole-5-carboxylic acid | C5H4N4O3

4-Methyl-4H-imidazo[4,5-c][1,2,5]oxadiazole-5-carboxylic acid

  • Molecular FormulaC5H4N4O3
  • Average mass168.110 Da
  • Monoisotopic mass168.028336 Da
  • ChemSpider ID44786172

More details:

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

4H-Imidazo[4,5-c][1,2,5]oxadiazole-5-carboxylic acid, 4-methyl- [ACD/Index Name]
4-Methyl-4H-imidazo[4,5-c][1,2,5]oxadiazol-5-carbonsäure [German] [ACD/IUPAC Name]
4-Methyl-4H-imidazo[4,5-c][1,2,5]oxadiazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 4-méthyl-4H-imidazo[4,5-c][1,2,5]oxadiazole-5-carboxylique [French] [ACD/IUPAC Name]
1555997-50-6 [RN]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 410.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.8±3.0 kJ/mol
Flash Point: 201.8±31.5 °C
Index of Refraction: 1.859
Molar Refractivity: 36.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.58
ACD/LogD (pH 5.5): -2.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 96.5±7.0 dyne/cm
Molar Volume: 81.1±7.0 cm3

Click to predict properties on the Chemicalize site


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