ChemSpider 2D Image | Ethyl 5-oxo-1-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-carboxylate | C11H11N3O3

Ethyl 5-oxo-1-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-carboxylate

  • Molecular FormulaC11H11N3O3
  • Average mass233.223 Da
  • Monoisotopic mass233.080048 Da
  • ChemSpider ID21391257

More details:

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

1H-1,2,4-Triazole-3-carboxylic acid, 2,5-dihydro-5-oxo-1-phenyl-, ethyl ester [ACD/Index Name]
1H-1,2,4-Triazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-phenyl-, ethyl ester
5-Oxo-1-phényl-2,5-dihydro-1H-1,2,4-triazole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
67267-08-7 [RN]
Ethyl 5-oxo-1-phenyl-2,5-dihydro-1H-1,2,4-triazole-3-carboxylate [ACD/IUPAC Name]
Ethyl 5-oxo-1-phenyl-4,5-dihydro-1H-1,2,4-triazole-3-carboxylate
Ethyl-5-oxo-1-phenyl-2,5-dihydro-1H-1,2,4-triazol-3-carboxylat [German] [ACD/IUPAC Name]
[67267-08-7] [RN]
1-(1-cyclohexa-1,4-dienyl)-2-ethyl-5-oxo-1,2,4-triazole-3-carboxylate
1-Boc-5-Cyano-3-formylindole
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 324.9±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 150.3±23.2 °C
Index of Refraction: 1.624
Molar Refractivity: 61.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.57
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.76
ACD/KOC (pH 5.5): 52.22
ACD/LogD (pH 7.4): 0.63
ACD/BCF (pH 7.4): 1.76
ACD/KOC (pH 7.4): 52.23
Polar Surface Area: 71 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 173.1±7.0 cm3

Click to predict properties on the Chemicalize site


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