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ChemSpider 2D Image | 3-(5-(Hydroxymethyl)pyridin-2-yl)benzonitrile | C13H10N2O

3-(5-(Hydroxymethyl)pyridin-2-yl)benzonitrile

  • Molecular FormulaC13H10N2O
  • Average mass210.231 Da
  • Monoisotopic mass210.079315 Da
  • ChemSpider ID21540808

More details:

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

3-(5-(Hydroxymethyl)pyridin-2-yl)benzonitrile
3-[5-(Hydroxymethyl)-2-pyridinyl]benzonitril [German] [ACD/IUPAC Name]
3-[5-(Hydroxymethyl)-2-pyridinyl]benzonitrile [ACD/IUPAC Name]
3-[5-(Hydroxyméthyl)-2-pyridinyl]benzonitrile [French] [ACD/IUPAC Name]
887974-34-7 [RN]
Benzonitrile, 3-[5-(hydroxymethyl)-2-pyridinyl]- [ACD/Index Name]
[887974-34-7] [RN]
3-[5-(Hydroxymethyl )-2-pyridyl]benzonitrile
3-[5-(Hydroxymethyl)-2-pyridyl]benzonitrile
3-[5-(HYDROXYMETHYL)PYRIDIN-2-YL]BENZONITRILE
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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: 424.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.5±3.0 kJ/mol
    Flash Point: 210.3±28.7 °C
    Index of Refraction: 1.639
    Molar Refractivity: 60.0±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.52
    ACD/LogD (pH 5.5): 1.54
    ACD/BCF (pH 5.5): 8.76
    ACD/KOC (pH 5.5): 164.24
    ACD/LogD (pH 7.4): 1.55
    ACD/BCF (pH 7.4): 8.82
    ACD/KOC (pH 7.4): 165.38
    Polar Surface Area: 57 Å2
    Polarizability: 23.8±0.5 10-24cm3
    Surface Tension: 66.6±5.0 dyne/cm
    Molar Volume: 166.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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