Cas no 88472-61-1 (Octadecanoic acid, 12-oxo-, ethyl ester)

Octadecanoic acid, 12-oxo-, ethyl ester structure
88472-61-1 structure
Product Name:Octadecanoic acid, 12-oxo-, ethyl ester
CAS No:88472-61-1
MF:C20H38O3
MW:326.51392698288
CID:631371
PubChem ID:15584320
Update Time:2025-04-19

Octadecanoic acid, 12-oxo-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Octadecanoic acid, 12-oxo-, ethyl ester
    • ethyl 12-oxooctadecanoate
    • ethyl 12-ketostearate
    • DTXSID00574973
    • SCHEMBL8813277
    • 88472-61-1
    • Inchi： 1S/C20H38O3/c1-3-5-6-13-16-19(21)17-14-11-9-7-8-10-12-15-18-20(22)23-4-2/h3-18H2,1-2H3
    • InChI Key： UOWGCUALRXLHBW-UHFFFAOYSA-N
    • SMILES： O=C(CCCCCC)CCCCCCCCCCC(=O)OCC

Computed Properties

  • Exact Mass: 326.28209507g/mol
  • Monoisotopic Mass: 326.28209507g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 18
  • Complexity: 287
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.5
  • Topological Polar Surface Area: 43.4?2

Octadecanoic acid, 12-oxo-, ethyl ester Related Literature

88472-61-1 (Octadecanoic acid, 12-oxo-, ethyl ester) Related Products

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