ChemSpider 2D Image | 1-(1,2,3,4-Oxatriazol-5-yl)ethanone | C3H3N3O2

1-(1,2,3,4-Oxatriazol-5-yl)ethanone

  • Molecular FormulaC3H3N3O2
  • Average mass113.075 Da
  • Monoisotopic mass113.022530 Da
  • ChemSpider ID24191787

More details:

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

1-(1,2,3,4-Oxatriazol-5-yl)ethanon [German] [ACD/IUPAC Name]
1-(1,2,3,4-Oxatriazol-5-yl)ethanone [ACD/IUPAC Name]
1-(1,2,3,4-Oxatriazol-5-yl)éthanone [French] [ACD/IUPAC Name]
185445-02-7 [RN]
Ethanone, 1-(1,2,3,4-oxatriazol-5-yl)- [ACD/Index Name]
Ethanone, 1-(1,2,3,4-oxatriazol-5-yl)- (9CI)
MFCD18829054

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

Density: 1.4±0.1 g/cm3
Boiling Point: 189.3±23.0 °C at 760 mmHg
Vapour Pressure: 0.6±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.6±3.0 kJ/mol
Flash Point: 68.3±22.6 °C
Index of Refraction: 1.460
Molar Refractivity: 22.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.79
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.79
Polar Surface Area: 69 Å2
Polarizability: 9.1±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 83.4±3.0 cm3

Click to predict properties on the Chemicalize site


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