ChemSpider 2D Image | 5-(4-Methyl-1,2,5-oxadiazol-3-yl)-1,3,4-oxadiazole-2-carboxylic acid | C6H4N4O4

5-(4-Methyl-1,2,5-oxadiazol-3-yl)-1,3,4-oxadiazole-2-carboxylic acid

  • Molecular FormulaC6H4N4O4
  • Average mass196.120 Da
  • Monoisotopic mass196.023254 Da
  • ChemSpider ID35472853

More details:

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

1,3,4-Oxadiazole-2-carboxylic acid, 5-(4-methyl-1,2,5-oxadiazol-3-yl)- [ACD/Index Name]
1279219-00-9 [RN]
5-(4-Methyl-1,2,5-oxadiazol-3-yl)-1,3,4-oxadiazol-2-carbonsäure [German] [ACD/IUPAC Name]
5-(4-Methyl-1,2,5-oxadiazol-3-yl)-1,3,4-oxadiazole-2-carboxylic acid [ACD/IUPAC Name]
Acide 5-(4-méthyl-1,2,5-oxadiazol-3-yl)-1,3,4-oxadiazole-2-carboxylique [French] [ACD/IUPAC Name]
5-(4-Methyl-furazan-3-yl)-[1,3,4]oxadiazole-2-carboxylic acid
D-5031
MFCD18785276

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 451.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.9±3.0 kJ/mol
    Flash Point: 226.9±31.5 °C
    Index of Refraction: 1.562
    Molar Refractivity: 39.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.08
    ACD/LogD (pH 5.5): -2.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.47
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 115 Å2
    Polarizability: 15.7±0.5 10-24cm3
    Surface Tension: 80.1±3.0 dyne/cm
    Molar Volume: 122.0±3.0 cm3

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