Cas no 139401-22-2 (15-Oxoicosanoic acid)

15-Oxoicosanoic acid structure
15-Oxoicosanoic acid structure
Product Name:15-Oxoicosanoic acid
CAS No:139401-22-2
MF:C20H38O3
MW:326.51392698288
CID:5520075
PubChem ID:85630436
Update Time:2024-11-06

15-Oxoicosanoic acid Chemical and Physical Properties

Names and Identifiers

    • 15-Ketoarachic acid
    • 15-Oxoicosanoic acid
    • Eicosanoic acid, 15-oxo-
    • 139401-22-2
    • 15-3h]-arachidonic acid
    • G65535
    • Inchi: 1S/C20H38O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h2-18H2,1H3,(H,22,23)
    • InChI Key: AGWPLORZKRPYMC-UHFFFAOYSA-N
    • SMILES: C(O)(=O)CCCCCCCCCCCCCC(=O)CCCCC

Computed Properties

  • Exact Mass: 326.28209507g/mol
  • Monoisotopic Mass: 326.28209507g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • 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: 6.9
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • Density: 0.931±0.06 g/cm3(Predicted)
  • Boiling Point: 457.4±18.0 °C(Predicted)
  • pka: 4.78±0.10(Predicted)

15-Oxoicosanoic acid Pricemore >>

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