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Search term: KSINVKZRNOJNNW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl [(1S)-2-oxocyclohexyl]acetate | C9H14O3

Methyl [(1S)-2-oxocyclohexyl]acetate

  • Molecular FormulaC9H14O3
  • Average mass170.206 Da
  • Monoisotopic mass170.094299 Da
  • ChemSpider ID32789270

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(1S)-2-Oxocyclohexyl]acétate de méthyle [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 2-oxo-, methyl ester, (1S)- [ACD/Index Name]
Methyl [(1S)-2-oxocyclohexyl]acetate [ACD/IUPAC Name]
Methyl-[(1S)-2-oxocyclohexyl]acetat [German] [ACD/IUPAC Name]
204447-94-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 247.8±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.5±3.0 kJ/mol
Flash Point: 103.2±19.9 °C
Index of Refraction: 1.455
Molar Refractivity: 43.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.99
ACD/KOC (pH 5.5): 76.24
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.99
ACD/KOC (pH 7.4): 76.24
Polar Surface Area: 43 Å2
Polarizability: 17.3±0.5 10-24cm3
Surface Tension: 34.7±3.0 dyne/cm
Molar Volume: 160.5±3.0 cm3

Click to predict properties on the Chemicalize site


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