ChemSpider 2D Image | 3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanoic acid | C5H7N3O3

3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanoic acid

  • Molecular FormulaC5H7N3O3
  • Average mass157.127 Da
  • Monoisotopic mass157.048737 Da
  • ChemSpider ID27070207

More details:

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

3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanoic acid [ACD/IUPAC Name]
3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propansäure [German] [ACD/IUPAC Name]
4H-1,2,4-Triazole-3-propanoic acid, 5-hydroxy- [ACD/Index Name]
Acide 3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanoïque [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole-3-propanoic acid, 4,5-dihydro-5-oxo-
1H-1,2,4-triazole-3-propanoic acid, 5-hydroxy-
3-(3-hydroxy-1H-1,2,4-triazol-5-yl)propanoic acid
3-(5-hydroxy-1H-1,2,4-triazol-3-yl)propanoic acid
3-(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)propanoic acid
3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 564.6±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.2±3.0 kJ/mol
    Flash Point: 295.3±30.7 °C
    Index of Refraction: 1.633
    Molar Refractivity: 34.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: -0.80
    ACD/LogD (pH 5.5): -2.36
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.31
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 99 Å2
    Polarizability: 13.7±0.5 10-24cm3
    Surface Tension: 103.9±3.0 dyne/cm
    Molar Volume: 96.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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