ChemSpider 2D Image | 5-Cyano-2-methylindole-3-acetic acid | C12H10N2O2

5-Cyano-2-methylindole-3-acetic acid

  • Molecular FormulaC12H10N2O2
  • Average mass214.220 Da
  • Monoisotopic mass214.074234 Da
  • ChemSpider ID21373380

More details:

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

(5-Cyan-2-methyl-1H-indol-3-yl)essigsäure [German] [ACD/IUPAC Name]
(5-Cyano-2-methyl-1H-indol-3-yl)acetic acid [ACD/IUPAC Name]
13218-36-5 [RN]
1H-Indole-3-acetic acid, 5-cyano-2-methyl- [ACD/Index Name]
5-Cyano-2-methylindole-3-acetic acid
Acide (5-cyano-2-méthyl-1H-indol-3-yl)acétique [French] [ACD/IUPAC Name]
T56 BMJ C1 D1VQ GCN [WLN]
[13218-36-5] [RN]
2-(5-cyano-2-methyl-1H-indol-3-yl)acetic acid
2-(5-cyano-2-methylindol-3-yl)acetic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 497.2±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.6±3.0 kJ/mol
    Flash Point: 254.5±27.3 °C
    Index of Refraction: 1.666
    Molar Refractivity: 58.3±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.11
    ACD/LogD (pH 5.5): 0.55
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 9.27
    ACD/LogD (pH 7.4): -1.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 77 Å2
    Polarizability: 23.1±0.5 10-24cm3
    Surface Tension: 72.6±5.0 dyne/cm
    Molar Volume: 156.9±5.0 cm3

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