Cas no 14531-35-2 (Eicosanoic acid,3-oxo-, methyl ester)

Eicosanoic acid,3-oxo-, methyl ester structure
14531-35-2 structure
Product Name:Eicosanoic acid,3-oxo-, methyl ester
CAS No:14531-35-2
MF:C21H40O3
MW:340.540507316589
CID:223279
PubChem ID:84502
Update Time:2025-04-19

Eicosanoic acid,3-oxo-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Eicosanoic acid,3-oxo-, methyl ester
    • Methyl 3-oxoicosanoate
    • Einecs 238-556-3
    • METHYL 3-OXOEICOSANOATE
    • 3-Ketoarachic acid methyl ester
    • 3-Oxoicosanoic acid methyl ester
    • Octadecanoylacetic acid methyl ester
    • beta-keto-eicosanoic acid methyl ester
    • NS00024728
    • ZHYWEHNCZJJFQZ-UHFFFAOYSA-N
    • 14531-35-2
    • DTXSID40162979
    • AKOS024333175
    • SCHEMBL3687590
    • methyl-3-oxoeicosanoate
    • 3-OXO-EICOSANOIC ACID METHYL ESTER
    • Inchi： 1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21(23)24-2/h3-19H2,1-2H3
    • InChI Key： ZHYWEHNCZJJFQZ-UHFFFAOYSA-N
    • SMILES： O=C(CC(=O)OC)CCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 340.2979
  • Monoisotopic Mass: 340.29774513g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 19
  • Complexity: 300
  • 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: 8.4
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

Eicosanoic acid,3-oxo-, methyl ester Related Literature

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