Cas no 77656-05-4 (Butanamide, 3-oxo-N-(1-oxobutyl)-)

Butanamide, 3-oxo-N-(1-oxobutyl)- structure
77656-05-4 structure
Product Name:Butanamide, 3-oxo-N-(1-oxobutyl)-
CAS No:77656-05-4
MF:C8H13NO3
MW:171.193722486496
CID:535706
PubChem ID:12682091
Update Time:2025-04-19

Butanamide, 3-oxo-N-(1-oxobutyl)- Chemical and Physical Properties

Names and Identifiers

    • Butanamide, 3-oxo-N-(1-oxobutyl)-
    • N-butanoyl-3-oxobutanamide
    • 77656-05-4
    • DTXSID80506752
    • SCHEMBL21605295
    • Inchi： 1S/C8H13NO3/c1-3-4-7(11)9-8(12)5-6(2)10/h3-5H2,1-2H3,(H,9,11,12)
    • InChI Key： NKCQQRICTGJTLH-UHFFFAOYSA-N
    • SMILES： O=C(CCC)NC(CC(C)=O)=O

Computed Properties

  • Exact Mass: 171.08959
  • Monoisotopic Mass: 171.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 199
  • 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
  • Topological Polar Surface Area: 63.2?2

Experimental Properties

  • PSA: 63.24

Butanamide, 3-oxo-N-(1-oxobutyl)- Related Literature

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