ChemSpider 2D Image | 4-Cyano-1H-indole-2-carboxylic acid | C10H6N2O2

4-Cyano-1H-indole-2-carboxylic acid

  • Molecular FormulaC10H6N2O2
  • Average mass186.167 Da
  • Monoisotopic mass186.042923 Da
  • ChemSpider ID27246323

More details:

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

1369142-21-1 [RN]
4-Cyano-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
1H-Indole-2-carboxylic acid, 4-cyano- [ACD/Index Name]
4-Cyan-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
Acide 4-cyano-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
MFCD22063460

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 509.0±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.1±3.0 kJ/mol
    Flash Point: 261.6±24.6 °C
    Index of Refraction: 1.717
    Molar Refractivity: 49.1±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.63
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 1.38
    ACD/KOC (pH 5.5): 15.14
    ACD/LogD (pH 7.4): -0.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 77 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 86.1±5.0 dyne/cm
    Molar Volume: 124.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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