ChemSpider 2D Image | 4-Formyl-3-nitro-1H-pyrrole-2-carboxylic acid | C6H4N2O5

4-Formyl-3-nitro-1H-pyrrole-2-carboxylic acid

  • Molecular FormulaC6H4N2O5
  • Average mass184.106 Da
  • Monoisotopic mass184.012024 Da
  • ChemSpider ID23979970

More details:






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

1H-Pyrrole-2-carboxylic acid, 4-formyl-3-nitro- [ACD/Index Name]
4-Formyl-3-nitro-1H-pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
4-Formyl-3-nitro-1H-pyrrole-2-carboxylic acid [ACD/IUPAC Name]
Acide 4-formyl-3-nitro-1H-pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxylic acid, 4-formyl-3-nitro- (9CI)
36131-57-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.8±0.1 g/cm3
Boiling Point: 517.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.2±3.0 kJ/mol
Flash Point: 266.8±30.1 °C
Index of Refraction: 1.718
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): -2.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 101.6±3.0 dyne/cm
Molar Volume: 103.8±3.0 cm3

Click to predict properties on the Chemicalize site






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