ChemSpider 2D Image | Methyl 3-cyanoindole-4-carboxylate | C11H8N2O2

Methyl 3-cyanoindole-4-carboxylate

  • Molecular FormulaC11H8N2O2
  • Average mass200.193 Da
  • Monoisotopic mass200.058578 Da
  • ChemSpider ID21108308

More details:

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

1H-Indole-4-carboxylic acid, 3-cyano-, methyl ester [ACD/Index Name]
3-Cyano-1H-indole-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
3-Cyano-1H-indole-4-carboxylic acid methyl ester
939793-19-8 [RN]
Methyl 3-cyano-1H-indole-4-carboxylate [ACD/IUPAC Name]
Methyl 3-cyanoindole-4-carboxylate
Methyl-3-cyan-1H-indol-4-carboxylat [German] [ACD/IUPAC Name]
T56 BMJ DCN FVO1 [WLN]
[939793-19-8] [RN]
1-Cyclopropyl-3-methylbenzene [ACD/IUPAC Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 413.5±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 66.6±3.0 kJ/mol
    Flash Point: 203.9±23.2 °C
    Index of Refraction: 1.639
    Molar Refractivity: 53.9±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.30
    ACD/LogD (pH 5.5): 2.47
    ACD/BCF (pH 5.5): 44.56
    ACD/KOC (pH 5.5): 527.14
    ACD/LogD (pH 7.4): 2.47
    ACD/BCF (pH 7.4): 44.56
    ACD/KOC (pH 7.4): 527.14
    Polar Surface Area: 66 Å2
    Polarizability: 21.4±0.5 10-24cm3
    Surface Tension: 63.7±5.0 dyne/cm
    Molar Volume: 149.8±5.0 cm3

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