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ChemSpider 2D Image | Ethyl (4-cyano-1H-1,2,3-triazol-1-yl)acetate | C7H8N4O2

Ethyl (4-cyano-1H-1,2,3-triazol-1-yl)acetate

  • Molecular FormulaC7H8N4O2
  • Average mass180.164 Da
  • Monoisotopic mass180.064728 Da
  • ChemSpider ID29303989

More details:

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

(4-Cyano-1H-1,2,3-triazol-1-yl)acétate d'éthyle [French] [ACD/IUPAC Name]
1H-1,2,3-Triazole-1-acetic acid, 4-cyano-, ethyl ester [ACD/Index Name]
202003-10-9 [RN]
Ethyl (4-cyano-1H-1,2,3-triazol-1-yl)acetate [ACD/IUPAC Name]
Ethyl 2-(4-cyano-1H-1,2,3-triazol-1-yl)acetate
Ethyl-(4-cyan-1H-1,2,3-triazol-1-yl)acetat [German] [ACD/IUPAC Name]
(4-Cyano-1H-1,2,3-triazol-1-yl)acetic acid ethyl ester
(4-Cyano-1H-1,2,3-triazol-1-yl)acetic acid ethyl ester, 1-(2-Ethoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carbonitrile
(4-Cyano-1H-1,2,3-triazol-1-yl)acetic acid ethyl ester; 1-(2-Ethoxy-2-oxoethyl)-1H-1,2,3-triazole-4-carbonitrile
[202003-10-9] [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 344.9±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.9±3.0 kJ/mol
Flash Point: 162.4±29.6 °C
Index of Refraction: 1.593
Molar Refractivity: 46.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.28
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.28
Polar Surface Area: 81 Å2
Polarizability: 18.4±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 136.6±7.0 cm3

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