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Search term: MLNCHKAEQNAJHY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 3-(4H-1,2,4-Triazol-4-yl)-1H-pyrazole-4-carboxylic acid | C6H5N5O2

3-(4H-1,2,4-Triazol-4-yl)-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC6H5N5O2
  • Average mass179.136 Da
  • Monoisotopic mass179.044327 Da
  • ChemSpider ID21330091

More details:

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

1H-Pyrazole-4-carboxylic acid, 3-(4H-1,2,4-triazol-4-yl)- [ACD/Index Name]
3-(4H-1,2,4-Triazol-4-yl)-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
3-(4H-1,2,4-Triazol-4-yl)-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 3-(4H-1,2,4-triazol-4-yl)-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
1177347-16-8 [RN]
5-(1,2,4-triazol-4-yl)-1H-pyrazole-4-carboxylic acid
MFCD09972018 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.9±0.1 g/cm3
Boiling Point: 590.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.7±3.0 kJ/mol
Flash Point: 311.1±32.9 °C
Index of Refraction: 1.848
Molar Refractivity: 43.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.48
ACD/LogD (pH 5.5): -2.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 97 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 95.2±7.0 dyne/cm
Molar Volume: 96.3±7.0 cm3

Click to predict properties on the Chemicalize site


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