Cas no 24535-85-1 (Pentanoic acid,5-(hydroxyimino)-)

Pentanoic acid,5-(hydroxyimino)- structure
24535-85-1 structure
Product Name:Pentanoic acid,5-(hydroxyimino)-
CAS No:24535-85-1
MF:C5H9NO3
MW:131.129861593246
CID:273669
PubChem ID:9555368
Update Time:2025-04-19

Pentanoic acid,5-(hydroxyimino)- Chemical and Physical Properties

Names and Identifiers

    • Pentanoic acid,5-(hydroxyimino)-
    • NSC-310262
    • DTXSID00429737
    • 24535-85-1
    • SCHEMBL20518435
    • NSC310262
    • SCHEMBL20518437
    • AKOS006379035
    • Inchi: 1S/C5H9NO3/c7-5(8)3-1-2-4-6-9/h4,9H,1-3H2,(H,7,8)/b6-4+
    • InChI Key: DKJCWKZEOWJBDB-GQCTYLIASA-N
    • SMILES: OC(CCC/C=N/O)=O

Computed Properties

  • Exact Mass: 131.05827
  • Monoisotopic Mass: 131.058243
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 111
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 69.9
  • XLogP3: -0.2

Experimental Properties

  • Density: 1.19
  • Boiling Point: 342.6°C at 760 mmHg
  • Flash Point: 161°C
  • Refractive Index: 1.482
  • PSA: 69.89
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