ChemSpider 2D Image | 4,5-Dinitro-1H-pyrrole-2-carboxylic acid | C5H3N3O6

4,5-Dinitro-1H-pyrrole-2-carboxylic acid

  • Molecular FormulaC5H3N3O6
  • Average mass201.094 Da
  • Monoisotopic mass201.002182 Da
  • ChemSpider ID110515447

More details:

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

1H-Pyrrole-2-carboxylic acid, 4,5-dinitro- [ACD/Index Name]
4,5-Dinitro-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
4,5-Dinitro-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
Acide 4,5-dinitro-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 543.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 282.3±30.1 °C
Index of Refraction: 1.712
Molar Refractivity: 40.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.98
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 16.1±0.5 10-24cm3
Surface Tension: 114.3±3.0 dyne/cm
Molar Volume: 104.0±3.0 cm3

Click to predict properties on the Chemicalize site


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