Cas no 33876-39-0 (4-methyl-2-oxohexanoic acid)

4-methyl-2-oxohexanoic acid structure
4-methyl-2-oxohexanoic acid structure
Product Name:4-methyl-2-oxohexanoic acid
CAS No:33876-39-0
MF:C7H12O3
MW:144.168382644653
CID:3943589
PubChem ID:14663332
Update Time:2025-04-22

4-methyl-2-oxohexanoic acid Chemical and Physical Properties

Names and Identifiers

    • Hexanoic acid, 4-methyl-2-oxo-
    • 4-methyl-2-oxohexanoic acid
    • 33876-39-0
    • IBA87639
    • 2-Oxo-4-methylhexanoic acid
    • 854-225-1
    • AKOS011598261
    • EN300-1855670
    • 4-methyl-2-oxohexanoicacid
    • SCHEMBL1301619
    • keto-4-methylcaproic acid
    • Inchi: 1S/C7H12O3/c1-3-5(2)4-6(8)7(9)10/h5H,3-4H2,1-2H3,(H,9,10)
    • InChI Key: BJWNVXXCJVKCNL-UHFFFAOYSA-N
    • SMILES: C(O)(=O)C(=O)CC(C)CC

Computed Properties

  • Exact Mass: 144.078644241Da
  • Monoisotopic Mass: 144.078644241Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 140
  • 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: 1.5
  • Topological Polar Surface Area: 54.4?2

4-methyl-2-oxohexanoic acid Pricemore >>

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