ChemSpider 2D Image | 4-Hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonitrile | C5H4N2O2

4-Hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonitrile

  • Molecular FormulaC5H4N2O2
  • Average mass124.098 Da
  • Monoisotopic mass124.027275 Da
  • ChemSpider ID32978120

More details:

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

1H-Pyrrole-3-carbonitrile, 2,5-dihydro-4-hydroxy-5-oxo- [ACD/Index Name]
4-Hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-3-carbonitril [German] [ACD/IUPAC Name]
4-Hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonitrile [ACD/IUPAC Name]
4-Hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonitrile [French] [ACD/IUPAC Name]
29418-72-2 [RN]
MFCD19221253

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

Density: 1.5±0.1 g/cm3
Boiling Point: 426.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.7±6.0 kJ/mol
Flash Point: 211.6±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 27.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.24
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.79
ACD/LogD (pH 7.4): -1.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 73 Å2
Polarizability: 11.0±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 82.2±5.0 cm3

Click to predict properties on the Chemicalize site


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