Cas no 61798-16-1 (Butanoic acid, 4-(butylsulfonyl)-)

Butanoic acid, 4-(butylsulfonyl)- structure
61798-16-1 structure
Product Name:Butanoic acid, 4-(butylsulfonyl)-
CAS No:61798-16-1
MF:C8H16O4S
MW:208.275241851807
CID:465816
PubChem ID:43615608
Update Time:2025-04-19

Butanoic acid, 4-(butylsulfonyl)- Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 4-(butylsulfonyl)-
    • 4-butylsulfonylbutanoic acid
    • DTXSID40656242
    • 61798-16-1
    • 4-(Butane-1-sulfonyl)butanoic acid
    • A1-05516
    • Inchi: 1S/C8H16O4S/c1-2-3-6-13(11,12)7-4-5-8(9)10/h2-7H2,1H3,(H,9,10)
    • InChI Key: HOPCBXPFMJCVLR-UHFFFAOYSA-N
    • SMILES: S(CCCC(=O)O)(CCCC)(=O)=O

Computed Properties

  • Exact Mass: 208.07698
  • Monoisotopic Mass: 208.07693016g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 237
  • 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: 0.7
  • Topological Polar Surface Area: 79.8?2

Experimental Properties

  • PSA: 71.44
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