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2-Acetyl-Cyclohexanone

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  • Name 2-Acetyl-Cyclohexanone
  • EINECSN/A
  • CAS No. 424823-02-9
  • Density1.044 g/cm3
  • PSA34.14000
  • LogP1.33470
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC8H12O2
  • Boiling Point224.3 °C at 760 mmHg
  • Molecular Weight140.17968
  • Flash Point79.4 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 424823-02-9 (2-Acetyl-Cyclohexanone)
  • Hazard SymbolsN/A
  • SynonymsN/A

2-Acetyl-Cyclohexanone Specification

The CAS register number of 2-Acetyl-Cyclohexanone is 424823-02-9. The molecular formula about this chemical is C8H12O2 and the molecular weight is 140.17968.

Physical properties about 2-Acetyl-Cyclohexanone are: (1)ACD/LogP: 0.08; (2)ACD/LogD (pH 5.5): 0.08; (3)ACD/LogD (pH 7.4): 0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 26.42; (7)ACD/KOC (pH 7.4): 26.41; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 34.14 Å2; (11)Index of Refraction: 1.463; (12)Molar Refractivity: 37 cm3; (13)Molar Volume: 134.2 cm3; (14)Polarizability: 14.67x10-24cm3; (15)Surface Tension: 36.1 dyne/cm; (16)Density: 1.044 g/cm3; (17)Flash Point: 79.4 °C; (18)Enthalpy of Vaporization: 46.08 kJ/mol; (19)Boiling Point: 224.3 °C at 760 mmHg; (20)Vapour Pressure: 0.0917 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCC1C(=O)C
(2)InChI: InChI=1/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3
(3)InChIKey: OEKATORRSPXJHE-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H12O2/c1-6(9)7-4-2-3-5-8(7)10/h7H,2-5H2,1H3
(5)Std. InChIKey: OEKATORRSPXJHE-UHFFFAOYSA-N

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