Cas no 82122-21-2 (6,9,12,15-Octadecatetraynoic acid)

6,9,12,15-Octadecatetraynoic acid structure
82122-21-2 structure
Product Name:6,9,12,15-Octadecatetraynoic acid
CAS No:82122-21-2
MF:C18H20O2
MW:268.350205421448
CID:697861
PubChem ID:71420028
Update Time:2025-04-19

6,9,12,15-Octadecatetraynoic acid Chemical and Physical Properties

Names and Identifiers

    • 6,9,12,15-Octadecatetraynoic acid
    • octadeca-6,9,12,15-tetraynoic acid
    • 82122-21-2
    • DTXSID10839242
    • Inchi: 1S/C18H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2,5,8,11,14-17H2,1H3,(H,19,20)
    • InChI Key: HVSORVFOTGKEKC-UHFFFAOYSA-N
    • SMILES: OC(CCCCC#CCC#CCC#CCC#CCC)=O

Computed Properties

  • Exact Mass: 268.146329876g/mol
  • Monoisotopic Mass: 268.146329876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 557
  • 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: 4.2
  • Topological Polar Surface Area: 37.3?2
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