Cas no 30503-12-9 (oct-7-en-4-one)

oct-7-en-4-one structure
oct-7-en-4-one structure
Product Name:oct-7-en-4-one
CAS No:30503-12-9
MF:C8H14O
MW:126.196162700653
CID:1442889
PubChem ID:11412381
Update Time:2025-04-20

oct-7-en-4-one Chemical and Physical Properties

Names and Identifiers

    • 7-Octen-4-one
    • oct-7-en-4-one
    • SCHEMBL514867
    • EN300-64554
    • 30503-12-9
    • AKOS009389665
    • G44762
    • Z406377524
    • Inchi: 1S/C8H14O/c1-3-5-7-8(9)6-4-2/h3H,1,4-7H2,2H3
    • InChI Key: NPPZHBOHFSDBRW-UHFFFAOYSA-N
    • SMILES: O=C(CCC=C)CCC

Computed Properties

  • Exact Mass: 126.10452
  • Monoisotopic Mass: 126.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 94.7
  • 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: 1.8
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07

oct-7-en-4-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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