ChemSpider 2D Image | 1-Oxo-1,2-dihydro-5-isoquinolinecarbonitrile | C10H6N2O

1-Oxo-1,2-dihydro-5-isoquinolinecarbonitrile

  • Molecular FormulaC10H6N2O
  • Average mass170.167 Da
  • Monoisotopic mass170.048019 Da
  • ChemSpider ID24540399

More details:

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

1-Oxo-1,2-dihydro-5-isochinolincarbonitril [German] [ACD/IUPAC Name]
1-Oxo-1,2-dihydro-5-isoquinoléinecarbonitrile [French] [ACD/IUPAC Name]
1-Oxo-1,2-dihydro-5-isoquinolinecarbonitrile [ACD/IUPAC Name]
1-oxo-1,2-dihydroisoquinoline-5-carbonitrile
5-Isoquinolinecarbonitrile, 1,2-dihydro-1-oxo- [ACD/Index Name]
90947-07-2 [RN]
1-Hydroxyisoquinoline-5-carbonitrile
1-oxo-2H-isoquinoline-5-carbonitrile
1-oxo-2-hydroisoquinoline-5-carbonitrile
5-Cyano-1-hydroxy-2-azanaphthalene
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 478.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.2±3.0 kJ/mol
    Flash Point: 243.0±28.7 °C
    Index of Refraction: 1.651
    Molar Refractivity: 46.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.57
    ACD/LogD (pH 5.5): 0.80
    ACD/BCF (pH 5.5): 2.39
    ACD/KOC (pH 5.5): 64.94
    ACD/LogD (pH 7.4): 0.80
    ACD/BCF (pH 7.4): 2.39
    ACD/KOC (pH 7.4): 64.94
    Polar Surface Area: 53 Å2
    Polarizability: 18.6±0.5 10-24cm3
    Surface Tension: 63.0±5.0 dyne/cm
    Molar Volume: 128.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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