ChemSpider 2D Image | Methyl 3-(3-hydroxy-1H-1,2,4-triazol-5-yl)propanoate | C6H9N3O3

Methyl 3-(3-hydroxy-1H-1,2,4-triazol-5-yl)propanoate

  • Molecular FormulaC6H9N3O3
  • Average mass171.154 Da
  • Monoisotopic mass171.064392 Da
  • ChemSpider ID28943087

More details:

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

1379811-65-0 [RN]
1H-1,2,4-Triazole-3-propanoic acid, 2,5-dihydro-5-oxo-, methyl ester
1H-1,2,4-Triazole-5-propanoic acid, 3-hydroxy-, methyl ester [ACD/Index Name]
3-(5-Oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(3-hydroxy-1H-1,2,4-triazol-5-yl)propanoate [ACD/IUPAC Name]
Methyl-3-(5-oxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanoat [German] [ACD/IUPAC Name]
methyl 3-(5-hydroxy-4H-1,2,4-triazol-3-yl)propanoate
methyl 3-(5-oxo-1,2-dihydro-1,2,4-triazol-3-yl)propanoate
MFCD22374937 [MDL number]
MFCD24860581 [MDL number]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 431.8±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.4±3.0 kJ/mol
    Flash Point: 214.9±29.3 °C
    Index of Refraction: 1.558
    Molar Refractivity: 39.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: -0.34
    ACD/LogD (pH 5.5): -0.47
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 10.13
    ACD/LogD (pH 7.4): -0.99
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.05
    Polar Surface Area: 88 Å2
    Polarizability: 15.6±0.5 10-24cm3
    Surface Tension: 68.7±3.0 dyne/cm
    Molar Volume: 121.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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