Cas no 21661-10-9 (9E,12Z,15Z-Octadecatrienoic acid)

9E,12Z,15Z-Octadecatrienoic acid structure
21661-10-9 structure
Product Name:9E,12Z,15Z-Octadecatrienoic acid
CAS No:21661-10-9
MF:C18H30O2
MW:278.429605960846
CID:2657104
Update Time:2024-02-29

9E,12Z,15Z-Octadecatrienoic acid Chemical and Physical Properties

Names and Identifiers

    • 9E,12Z,15Z-octadecatrienoic acid
    • C18:3n-3,6,9
    • 9,12,15-Octadecatrienoic acid, (E,Z,Z)-
    • trans-alpha-linolenic acid
    • LMFA01030350
    • 9,12,15-Octadecatrienoic acid, (Z,E,Z)-
    • 18:3(9E,12Z,15Z)
    • 9E,12Z,15Z-Octadecatrienoic acid
    • Inchi: 1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9+
    • InChI Key: DTOSIQBPPRVQHS-FVCZIJCZSA-N
    • SMILES: OC(CCCCCCC/C=C/C/C=C\C/C=C\CC)=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 13
  • Complexity: 301
  • XLogP3: 5.9
  • Topological Polar Surface Area: 37.3
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