Cas no 92857-45-9 (Pentadecanoic acid, 5-oxo-)

Pentadecanoic acid, 5-oxo- structure
Pentadecanoic acid, 5-oxo- structure
Product Name:Pentadecanoic acid, 5-oxo-
CAS No:92857-45-9
MF:C15H28O3
MW:256.381025314331
CID:752988
PubChem ID:5150859
Update Time:2025-04-19

Pentadecanoic acid, 5-oxo- Chemical and Physical Properties

Names and Identifiers

    • Pentadecanoic acid, 5-oxo-
    • 5-oxopentadecanoic acid
    • DTXSID90408834
    • SCHEMBL19816013
    • AKOS024274102
    • 92857-45-9
    • ST002906
    • Inchi: 1S/C15H28O3/c1-2-3-4-5-6-7-8-9-11-14(16)12-10-13-15(17)18/h2-13H2,1H3,(H,17,18)
    • InChI Key: RNMOYYIVANEQIG-UHFFFAOYSA-N
    • SMILES: O=C(CCCC(=O)O)CCCCCCCCCC

Computed Properties

  • Exact Mass: 256.20384475g/mol
  • Monoisotopic Mass: 256.20384475g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 13
  • Complexity: 224
  • 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: 4.4
  • Topological Polar Surface Area: 54.4?2
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