ChemSpider 2D Image | 4-(2,3-Dimethoxyphenyl)-1H-pyrrole-3-carbonitrile | C13H12N2O2

4-(2,3-Dimethoxyphenyl)-1H-pyrrole-3-carbonitrile

  • Molecular FormulaC13H12N2O2
  • Average mass228.247 Da
  • Monoisotopic mass228.089874 Da
  • ChemSpider ID30657676

More details:

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

1H-Pyrrole-3-carbonitrile, 4-(2,3-dimethoxyphenyl)- [ACD/Index Name]
4-(2,3-Dimethoxyphenyl)-1H-pyrrol-3-carbonitril [German] [ACD/IUPAC Name]
4-(2,3-Dimethoxyphenyl)-1H-pyrrole-3-carbonitrile [ACD/IUPAC Name]
4-(2,3-Diméthoxyphényl)-1H-pyrrole-3-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 194.8±27.9 °C
Index of Refraction: 1.596
Molar Refractivity: 62.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.30
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.16
ACD/KOC (pH 5.5): 369.80
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.16
ACD/KOC (pH 7.4): 369.80
Polar Surface Area: 58 Å2
Polarizability: 24.8±0.5 10-24cm3
Surface Tension: 55.9±5.0 dyne/cm
Molar Volume: 184.2±5.0 cm3

Click to predict properties on the Chemicalize site


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