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Search term: NAPIPMWJLXULDQ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 1-Ethyl-2-oxo-3-cyclohexene-1-carboxylate | C9H11O3

1-Ethyl-2-oxo-3-cyclohexene-1-carboxylate

  • Molecular FormulaC9H11O3
  • Average mass167.182 Da
  • Monoisotopic mass167.071365 Da
  • ChemSpider ID26998694
  • Charge - Charge


More details:






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

1-Ethyl-2-oxo-3-cyclohexen-1-carboxylat [German] [ACD/IUPAC Name]
1-Ethyl-2-oxo-3-cyclohexene-1-carboxylate [ACD/IUPAC Name]
1-Éthyl-2-oxo-3-cyclohexène-1-carboxylate [French] [ACD/IUPAC Name]
3-Cyclohexene-1-carboxylic acid, 1-ethyl-2-oxo-, ion(1-) [ACD/Index Name]
ethyl-2-oxocyclohex-3-ene-1-carboxylate

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

Density:
Boiling Point: 326.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 62.5±6.0 kJ/mol
Flash Point: 165.4±24.4 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -1.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 57 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






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