ChemSpider 2D Image | 3-Cyanoisonicotinic acid | C7H4N2O2

3-Cyanoisonicotinic acid

  • Molecular FormulaC7H4N2O2
  • Average mass148.119 Da
  • Monoisotopic mass148.027283 Da
  • ChemSpider ID27266377

More details:

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

1060802-59-6 [RN]
3-Cyanisonicotinsäure [German] [ACD/IUPAC Name]
3-Cyano-4-pyridinecarboxylic acid
3-Cyanoisonicotinic acid [ACD/IUPAC Name]
4-Pyridinecarboxylic acid, 3-cyano- [ACD/Index Name]
Acide 3-cyanoisonicotinique [French] [ACD/IUPAC Name]
[1060802-59-6] [RN]
3-Cyanoisonicotinicacid
3-cyanopyridine-4-carboxylic acid
MFCD13189083 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 472.0±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 77.4±3.0 kJ/mol
    Flash Point: 239.3±24.6 °C
    Index of Refraction: 1.597
    Molar Refractivity: 35.4±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.09
    ACD/LogD (pH 5.5): -2.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.80
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 74 Å2
    Polarizability: 14.0±0.5 10-24cm3
    Surface Tension: 78.2±5.0 dyne/cm
    Molar Volume: 103.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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