ChemSpider 2D Image | (2Z)-2-Cyano-4-methyl-2-pentenoic acid | C7H9NO2

(2Z)-2-Cyano-4-methyl-2-pentenoic acid

  • Molecular FormulaC7H9NO2
  • Average mass139.152 Da
  • Monoisotopic mass139.063324 Da
  • ChemSpider ID28130383

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-Cyan-4-methyl-2-pentensäure [German] [ACD/IUPAC Name]
(2Z)-2-Cyano-4-methyl-2-pentenoic acid [ACD/IUPAC Name]
2-Pentenoic acid, 2-cyano-4-methyl-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-cyano-4-méthyl-2-penténoïque [French] [ACD/IUPAC Name]
2-cyano-4-methylpent-2-enoic acid
760-58-7 [RN]
76911-61-0 [RN]
MFCD16706720
Schembl22246044

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 283.1±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 57.4±6.0 kJ/mol
    Flash Point: 125.0±22.6 °C
    Index of Refraction: 1.481
    Molar Refractivity: 35.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.33
    ACD/LogD (pH 5.5): -2.16
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.46
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 61 Å2
    Polarizability: 14.2±0.5 10-24cm3
    Surface Tension: 42.6±3.0 dyne/cm
    Molar Volume: 125.9±3.0 cm3

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