ChemSpider 2D Image | 3-(4-Carboxy-1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid | C8H6N4O5

3-(4-Carboxy-1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid

  • Molecular FormulaC8H6N4O5
  • Average mass238.157 Da
  • Monoisotopic mass238.033813 Da
  • ChemSpider ID37563949

More details:

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

1,2,4-Oxadiazole-5-carboxylic acid, 3-(4-carboxy-1-methyl-1H-pyrazol-5-yl)- [ACD/Index Name]
3-(4-Carboxy-1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-(4-Carboxy-1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 3-(4-carboxy-1-méthyl-1H-pyrazol-5-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: 1.9±0.1 g/cm3
Boiling Point: 592.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 312.0±32.9 °C
Index of Refraction: 1.779
Molar Refractivity: 52.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.26
ACD/LogD (pH 5.5): -4.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 131 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 89.1±7.0 dyne/cm
Molar Volume: 124.1±7.0 cm3

Click to predict properties on the Chemicalize site


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