Cas no 158478-09-2 (Hexanal,4-hydroxy-5-oxo-)

Hexanal,4-hydroxy-5-oxo- structure
Hexanal,4-hydroxy-5-oxo- structure
Product Name:Hexanal,4-hydroxy-5-oxo-
CAS No:158478-09-2
MF:C6H10O3
MW:130.141802310944
CID:108205
PubChem ID:21537107
Update Time:2025-04-18

Hexanal,4-hydroxy-5-oxo- Chemical and Physical Properties

Names and Identifiers

    • Hexanal,4-hydroxy-5-oxo-
    • Hexanal, 4-hydroxy-5-oxo- (9CI)
    • SCHEMBL11884343
    • DTXSID401314216
    • 4-hydroxy-5-oxohexanal
    • 158478-09-2
    • Inchi: 1S/C6H10O3/c1-5(8)6(9)3-2-4-7/h4,6,9H,2-3H2,1H3
    • InChI Key: DTNHNFGZENZOHE-UHFFFAOYSA-N
    • SMILES: OC(C(C)=O)CCC=O

Computed Properties

  • Exact Mass: 130.063
  • Monoisotopic Mass: 130.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 109
  • 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: -0.9
  • Topological Polar Surface Area: 54.4?2

Experimental Properties

  • PSA: 54.37
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