ChemSpider 2D Image | 2-Cyano-3-(1H-indol-3-yl)acrylic acid | C12H8N2O2

2-Cyano-3-(1H-indol-3-yl)acrylic acid

  • Molecular FormulaC12H8N2O2
  • Average mass212.204 Da
  • Monoisotopic mass212.058578 Da
  • ChemSpider ID21379515

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Cyan-3-(1H-indol-3-yl)acrylsäure [German] [ACD/IUPAC Name]
(2Z)-2-Cyano-3-(1H-indol-3-yl)acrylic acid [ACD/IUPAC Name]
1453484-21-3 [RN]
2-Cyano-3-(1H-indol-3-yl)acrylic acid [ACD/IUPAC Name]
2-Propenoic acid, 2-cyano-3-(1H-indol-3-yl)-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-cyano-3-(1H-indol-3-yl)acrylique [French] [ACD/IUPAC Name]
(2Z)-2-CYANO-3-(1H-INDOL-3-YL)PROP-2-ENOIC ACID
(Z)-2-cyano-3-(1H-indol-3-yl)acrylic acid
2-cyano-3-(1H-indol-3-yl)acrylic acid (E and Z isomer)
2-PROPENOIC ACID, 2-CYANO-3-(1H-INDOL-3-YL)- [ACD/Index Name]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 480.1±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 78.4±3.0 kJ/mol
    Flash Point: 244.2±25.9 °C
    Index of Refraction: 1.757
    Molar Refractivity: 60.4±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.99
    ACD/LogD (pH 5.5): -1.43
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.77
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 77 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 79.7±3.0 dyne/cm
    Molar Volume: 147.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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