ChemSpider 2D Image | 3-[4-(Hydroxymethyl)phenoxy]phthalonitrile | C15H10N2O2

3-[4-(Hydroxymethyl)phenoxy]phthalonitrile

  • Molecular FormulaC15H10N2O2
  • Average mass250.252 Da
  • Monoisotopic mass250.074234 Da
  • ChemSpider ID26537857

More details:

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

1,2-Benzenedicarbonitrile, 3-[4-(hydroxymethyl)phenoxy]- [ACD/Index Name]
3-[4-(hydroxymethyl)phenoxy]-1,2-Benzenedicarbonitrile
3-[4-(Hydroxyméthyl)phénoxy]phtalonitrile [French] [ACD/IUPAC Name]
3-[4-(Hydroxymethyl)phenoxy]phthalonitril [German] [ACD/IUPAC Name]
3-[4-(Hydroxymethyl)phenoxy]phthalonitrile [ACD/IUPAC Name]
649553-08-2 [RN]
[649553-08-2] [RN]
182417-07-8 [RN]
3-(4-(Hydroxymethyl)phenoxy)phthalonitrile
3-[4-(HYDROXYMETHYL)PHENOXY]BENZENE-1,2-DICARBONITRILE
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 463.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.4±3.0 kJ/mol
    Flash Point: 234.2±28.7 °C
    Index of Refraction: 1.643
    Molar Refractivity: 68.5±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.54
    ACD/LogD (pH 5.5): 2.09
    ACD/BCF (pH 5.5): 22.85
    ACD/KOC (pH 5.5): 326.79
    ACD/LogD (pH 7.4): 2.09
    ACD/BCF (pH 7.4): 22.85
    ACD/KOC (pH 7.4): 326.79
    Polar Surface Area: 77 Å2
    Polarizability: 27.2±0.5 10-24cm3
    Surface Tension: 70.1±5.0 dyne/cm
    Molar Volume: 189.5±5.0 cm3

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