ChemSpider 2D Image | 3-[3-(1H-1,2,4-Triazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid | C7H7N5O3

3-[3-(1H-1,2,4-Triazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

  • Molecular FormulaC7H7N5O3
  • Average mass209.162 Da
  • Monoisotopic mass209.054886 Da
  • ChemSpider ID23983430

More details:

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

1,2,4-Oxadiazole-5-propanoic acid, 3-(1H-1,2,4-triazol-5-yl)- [ACD/Index Name]
1038356-87-4 [RN]
3-[3-(1H-1,2,4-Triazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid [ACD/IUPAC Name]
3-[3-(1H-1,2,4-Triazol-3-yl)-1,2,4-oxadiazol-5-yl]propansäure [German] [ACD/IUPAC Name]
3-[3-(4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
Acide 3-[3-(1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-yl]propanoïque [French] [ACD/IUPAC Name]
MFCD11203663 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 559.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 292.4±30.7 °C
Index of Refraction: 1.605
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 118 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 90.3±3.0 dyne/cm
Molar Volume: 132.7±3.0 cm3

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