ChemSpider 2D Image | Dimethyl 1-(2-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate | C15H13N3O4

Dimethyl 1-(2-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate

  • Molecular FormulaC15H13N3O4
  • Average mass299.281 Da
  • Monoisotopic mass299.090607 Da
  • ChemSpider ID24742245

More details:

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

1-(2-Cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
1H-Pyrazole-3,5-dicarboxylic acid, 1-[(2-cyanophenyl)methyl]-, dimethyl ester [ACD/Index Name]
Dimethyl 1-(2-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate [ACD/IUPAC Name]
Dimethyl-1-(2-cyanbenzyl)-1H-pyrazol-3,5-dicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 481.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.8±27.3 °C
Index of Refraction: 1.592
Molar Refractivity: 79.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.40
ACD/KOC (pH 5.5): 279.90
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.40
ACD/KOC (pH 7.4): 279.90
Polar Surface Area: 94 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 235.2±7.0 cm3

Click to predict properties on the Chemicalize site


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