Found 117 results

Search term: MF = 'C_{6}H_{4}N_{2}O'
ChemSpider 2D Image | 2-Formyl-1H-pyrrole-3-carbonitrile | C6H4N2O

2-Formyl-1H-pyrrole-3-carbonitrile

  • Molecular FormulaC6H4N2O
  • Average mass120.109 Da
  • Monoisotopic mass120.032364 Da
  • ChemSpider ID27016240

More details:

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

1H-Pyrrole-3-carbonitrile, 2-formyl- [ACD/Index Name]
2-Formyl-1H-pyrrol-3-carbonitril [German] [ACD/IUPAC Name]
2-Formyl-1H-pyrrole-3-carbonitrile [ACD/IUPAC Name]
2-Formyl-1H-pyrrole-3-carbonitrile [French] [ACD/IUPAC Name]
56164-43-3 [RN]
(E)-N-Benzylideneaniline
2-formyl-pyrrole-3-carbonitrile
95%
AGN-PC-00PZ5I
AJ-121627
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 362.7±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.9±3.0 kJ/mol
    Flash Point: 173.1±23.7 °C
    Index of Refraction: 1.563
    Molar Refractivity: 30.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.45
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 2.52
    ACD/KOC (pH 5.5): 67.46
    ACD/LogD (pH 7.4): 0.83
    ACD/BCF (pH 7.4): 2.52
    ACD/KOC (pH 7.4): 67.46
    Polar Surface Area: 57 Å2
    Polarizability: 12.0±0.5 10-24cm3
    Surface Tension: 62.6±5.0 dyne/cm
    Molar Volume: 93.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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