Cas no 90275-87-9 (Heptanoic acid, 7-(methylsulfinyl)-)

Heptanoic acid, 7-(methylsulfinyl)- structure
90275-87-9 structure
Product Name:Heptanoic acid, 7-(methylsulfinyl)-
CAS No:90275-87-9
MF:C8H16O3S
MW:192.275841712952
CID:790458
PubChem ID:71429467
Update Time:2025-04-19

Heptanoic acid, 7-(methylsulfinyl)- Chemical and Physical Properties

Names and Identifiers

    • Heptanoic acid, 7-(methylsulfinyl)-
    • 7-methylsulfinylheptanoic acid
    • DTXSID10848152
    • 90275-87-9
    • 7-(Methanesulfinyl)heptanoic acid
    • Inchi: 1S/C8H16O3S/c1-12(11)7-5-3-2-4-6-8(9)10/h2-7H2,1H3,(H,9,10)
    • InChI Key: KEBRAXGHBMFVRG-UHFFFAOYSA-N
    • SMILES: S(C)(CCCCCCC(=O)O)=O

Computed Properties

  • Exact Mass: 192.08201554g/mol
  • Monoisotopic Mass: 192.08201554g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 7
  • Complexity: 156
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.4
  • Topological Polar Surface Area: 73.6?2
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