Cas no 62409-12-5 (2,4,6-Heptatrienamide)

2,4,6-Heptatrienamide structure
2,4,6-Heptatrienamide structure
Product Name:2,4,6-Heptatrienamide
CAS No:62409-12-5
MF:C7H9NO
MW:123.152461767197
CID:445737
PubChem ID:54261312
Update Time:2025-04-19

2,4,6-Heptatrienamide Chemical and Physical Properties

Names and Identifiers

    • 2,4,6-Heptatrienamide
    • hepta-2,4,6-trienamide
    • 62409-12-5
    • DTXSID50710122
    • Inchi: 1S/C7H9NO/c1-2-3-4-5-6-7(8)9/h2-6H,1H2,(H2,8,9)
    • InChI Key: RDRXKIQDFFGAQA-UHFFFAOYSA-N
    • SMILES: O=C(C=CC=CC=C)N

Computed Properties

  • Exact Mass: 123.06847
  • Monoisotopic Mass: 123.068413911g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 3
  • Complexity: 156
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • XLogP3: 1
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • PSA: 43.09
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