Cas no 1838-60-4 (Cyclohexanebutanoic acid, 2-oxo-)

Cyclohexanebutanoic acid, 2-oxo- structure
1838-60-4 structure
Product Name:Cyclohexanebutanoic acid, 2-oxo-
CAS No:1838-60-4
MF:C10H16O3
MW:184.232243537903
CID:1378063
PubChem ID:10559385
Update Time:2025-04-20

Cyclohexanebutanoic acid, 2-oxo- Chemical and Physical Properties

Names and Identifiers

    • Cyclohexanebutanoic acid, 2-oxo-
    • 4-(2-oxocyclohexyl)butanoic acid
    • 1838-60-4
    • 4-(2-oxo-cyclohexyl)-butyric acid
    • SCHEMBL3824083
    • DTXSID00441696
    • Inchi: 1S/C10H16O3/c11-9-6-2-1-4-8(9)5-3-7-10(12)13/h8H,1-7H2,(H,12,13)
    • InChI Key: HFBXIQKLVPRBAO-UHFFFAOYSA-N
    • SMILES: O=C1CCCCC1CCCC(=O)O

Computed Properties

  • Exact Mass: 184.109944368g/mol
  • Monoisotopic Mass: 184.109944368g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 198
  • 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: 1.2
  • Topological Polar Surface Area: 54.4?2
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