ChemSpider 2D Image | 3-Cyano-1H-pyrrole-2-carboxylic acid | C6H4N2O2

3-Cyano-1H-pyrrole-2-carboxylic acid

  • Molecular FormulaC6H4N2O2
  • Average mass136.108 Da
  • Monoisotopic mass136.027283 Da
  • ChemSpider ID29273335

More details:

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

1H-Pyrrole-2-carboxylic acid, 3-cyano- [ACD/Index Name]
3-Cyan-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
3-Cyano-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
7126-56-9 [RN]
Acide 3-cyano-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
[7126-56-9] [RN]
43128-97-8 [RN]
MFCD19221270 [MDL number]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 440.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.6±3.0 kJ/mol
Flash Point: 220.5±24.6 °C
Index of Refraction: 1.613
Molar Refractivity: 31.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): -1.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 77 Å2
Polarizability: 12.5±0.5 10-24cm3
Surface Tension: 84.9±5.0 dyne/cm
Molar Volume: 90.6±5.0 cm3

Click to predict properties on the Chemicalize site


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