ChemSpider 2D Image | 1-(~2~H_3_)Methyl-1H-pyrazole-4-carboxylic acid | C5H3D3N2O2

1-(2H3)Methyl-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC5H3D3N2O2
  • Average mass129.132 Da
  • Monoisotopic mass129.061752 Da
  • ChemSpider ID128933216

  • Non-standard isotope - Non-standard isotope

More details:

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

1-(2H3)Methyl-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
1-(2H3)Methyl-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazole-4-carboxylic acid, 1-(methyl-d3)- [ACD/Index Name]
Acide 1-(2H3)méthyl-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
1-(2H3)methyl-1H-pyrazole-4-carboxylic acid
2919955-56-7 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 306.9±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.8±3.0 kJ/mol
Flash Point: 139.4±20.4 °C
Index of Refraction: 1.591
Molar Refractivity: 31.6±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.01
ACD/LogD (pH 7.4): -2.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 55 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 93.5±7.0 cm3

Click to predict properties on the Chemicalize site


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