ChemSpider 2D Image | 3,3'-(Carbonyldiimino)bis(1-methyl-1H-pyrazole-5-carboxylic acid) | C11H12N6O5

3,3'-(Carbonyldiimino)bis(1-methyl-1H-pyrazole-5-carboxylic acid)

  • Molecular FormulaC11H12N6O5
  • Average mass308.250 Da
  • Monoisotopic mass308.086914 Da
  • ChemSpider ID32766303

More details:

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

1H-Pyrazole-5-carboxylic acid, 3,3'-(carbonyldiimino)bis[1-methyl- [ACD/Index Name]
3,3'-(Carbonyldiimino)bis(1-methyl-1H-pyrazol-5-carbonsäure) [German] [ACD/IUPAC Name]
3,3'-(Carbonyldiimino)bis(1-methyl-1H-pyrazole-5-carboxylic acid) [ACD/IUPAC Name]
Acide 3,3'-(carbonyldiimino)bis(1-méthyl-1H-pyrazole-5-carboxylique) [French] [ACD/IUPAC Name]
198765-21-8 [RN]
1H-Pyrazole-5-carboxylic acid, 3,3'-(carbonyldiimino)bis-[1-methylester,
3,3'-(Carbonyldiazanediyl)bis(1-methyl-1H-pyrazole-5-carboxylic acid)

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

Density: 1.7±0.1 g/cm3
Boiling Point: 533.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 276.5±30.1 °C
Index of Refraction: 1.746
Molar Refractivity: 72.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.24
ACD/LogD (pH 5.5): -3.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 28.6±0.5 10-24cm3
Surface Tension: 79.0±7.0 dyne/cm
Molar Volume: 177.8±7.0 cm3

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