Cas no 54527-31-0 (Heptadecanoic acid, 8-oxo-)

Heptadecanoic acid, 8-oxo- structure
Heptadecanoic acid, 8-oxo- structure
Product Name:Heptadecanoic acid, 8-oxo-
CAS No:54527-31-0
MF:C17H34O3
MW:284.4
CID:5520538
PubChem ID:14454472
Update Time:2024-11-06

Heptadecanoic acid, 8-oxo- Chemical and Physical Properties

Names and Identifiers

    • Heptadecanoic acid, 8-oxo-
    • 8-Oxoheptadecanoic acid
    • G65743
    • 54527-31-0
    • Inchi: 1S/C17H32O3/c1-2-3-4-5-6-7-10-13-16(18)14-11-8-9-12-15-17(19)20/h2-15H2,1H3,(H,19,20)
    • InChI Key: DKAJEZXUJVXAQN-UHFFFAOYSA-N
    • SMILES: C(O)(=O)CCCCCCC(=O)CCCCCCCCC

Computed Properties

  • Exact Mass: 284.23514488g/mol
  • Monoisotopic Mass: 284.23514488g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 15
  • Complexity: 249
  • 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: 5.5
  • Topological Polar Surface Area: 54.4?2

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