ChemSpider 2D Image | (3-Methyl-1,2,4-oxadiazol-5-yl)acetonitrile | C5H5N3O

(3-Methyl-1,2,4-oxadiazol-5-yl)acetonitrile

  • Molecular FormulaC5H5N3O
  • Average mass123.113 Da
  • Monoisotopic mass123.043259 Da
  • ChemSpider ID24804537

More details:

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

(3-Methyl-1,2,4-oxadiazol-5-yl)acetonitril [German] [ACD/IUPAC Name]
(3-Methyl-1,2,4-oxadiazol-5-yl)acetonitrile [ACD/IUPAC Name]
(3-Méthyl-1,2,4-oxadiazol-5-yl)acétonitrile [French] [ACD/IUPAC Name]
1,2,4-Oxadiazole-5-acetonitrile, 3-methyl- [ACD/Index Name]
1239771-67-5 [RN]
2-(3-Methyl-1,2,4-oxadiazol-5-yl)acetonitrile
MFCD16874897 [MDL number]
(3-Methyl-[1,2,4]oxadiazol-5-yl)-acetonitrile

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 276.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.5±3.0 kJ/mol
    Flash Point: 120.7±27.9 °C
    Index of Refraction: 1.486
    Molar Refractivity: 29.0±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.75
    ACD/LogD (pH 5.5): -0.12
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 20.50
    ACD/LogD (pH 7.4): -0.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 20.50
    Polar Surface Area: 63 Å2
    Polarizability: 11.5±0.5 10-24cm3
    Surface Tension: 52.4±3.0 dyne/cm
    Molar Volume: 101.2±3.0 cm3

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