ChemSpider 2D Image | 1H-Pyrrole-2-(~2~H)carbaldehyde | C5H4DNO

1H-Pyrrole-2-(2H)carbaldehyde

  • Molecular FormulaC5H4DNO
  • Average mass96.105 Da
  • Monoisotopic mass96.043388 Da
  • ChemSpider ID57619472
  • Non-standard isotope - Non-standard isotope


More details:






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

1H-Pyrrol-2-(2H)carbaldehyd [German] [ACD/IUPAC Name]
1H-Pyrrole-2-(2H)carbaldehyde [ACD/IUPAC Name]
1H-Pyrrole-2-(2H)carbaldéhyde [French] [ACD/IUPAC Name]
1H-Pyrrole-2-carboxaldehyde-d [ACD/Index Name]
2-Formylpyrrol (D(1))
57991-52-3 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 219.1±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.6±3.0 kJ/mol
Flash Point: 106.7±0.0 °C
Index of Refraction: 1.607
Molar Refractivity: 27.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.64
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 53.66
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 53.66
Polar Surface Area: 33 Å2
Polarizability: 10.9±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 79.4±3.0 cm3

Click to predict properties on the Chemicalize site






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