Cas no 59801-91-1 (Octacosenoic acid)

Octacosenoic acid structure
Octacosenoic acid structure
Product Name:Octacosenoic acid
CAS No:59801-91-1
MF:C28H54O2
MW:422.727169513702
CID:337257
PubChem ID:54355333
Update Time:2025-04-19

Octacosenoic acid Chemical and Physical Properties

Names and Identifiers

    • Octacosenoic acid
    • octacos-2-enoic acid
    • 59801-91-1
    • DTXSID30710781
    • n-octacosenoic acid
    • Inchi: 1S/C28H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h26-27H,2-25H2,1H3,(H,29,30)
    • InChI Key: UISKOSOSWPDCPD-UHFFFAOYSA-N
    • SMILES: OC(C=CCCCCCCCCCCCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 422.41262
  • Monoisotopic Mass: 422.412380961g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 25
  • Complexity: 362
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 13.5
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
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