ChemSpider 2D Image | 3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]propanoic acid | C13H15N3O3

3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]propanoic acid

  • Molecular FormulaC13H15N3O3
  • Average mass261.276 Da
  • Monoisotopic mass261.111328 Da
  • ChemSpider ID21801609

More details:

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

1142210-04-5 [RN]
1H-1,2,4-Triazole-5-propanoic acid, 1-(4-methoxyphenyl)-3-methyl- [ACD/Index Name]
3-[1-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-yl]propanoic acid [ACD/IUPAC Name]
3-[1-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-yl]propansäure [German] [ACD/IUPAC Name]
3-[2-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]propanoic acid
Acide 3-[1-(4-méthoxyphényl)-3-méthyl-1H-1,2,4-triazol-5-yl]propanoïque [French] [ACD/IUPAC Name]
3-(1-(4-Methoxyphenyl)-3-methyl-1H-1,2,4-triazol-5-yl)propanoic acid
3-[1-(4-methoxyphenyl)-3-methyl-1,2,4-triazol-5-yl]propanoic acid

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

MFCD12028288 [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: 511.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 82.4±3.0 kJ/mol
    Flash Point: 263.1±32.9 °C
    Index of Refraction: 1.602
    Molar Refractivity: 70.1±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.55
    ACD/LogD (pH 5.5): 0.29
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 8.86
    ACD/LogD (pH 7.4): -1.49
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 77 Å2
    Polarizability: 27.8±0.5 10-24cm3
    Surface Tension: 47.2±7.0 dyne/cm
    Molar Volume: 204.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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