Cas no 101639-95-6 (7-Octenoyl chloride)

7-Octenoyl chloride structure
7-Octenoyl chloride structure
Product Name:7-Octenoyl chloride
CAS No:101639-95-6
MF:C8H13ClO
MW:160.641221761703
CID:1132746
PubChem ID:11105657
Update Time:2025-04-20

7-Octenoyl chloride Chemical and Physical Properties

Names and Identifiers

    • 7-Octenoyl chloride
    • oct-7-enoyl chloride
    • DTXSID50455324
    • SCHEMBL3949411
    • 101639-95-6
    • JMOJBNHCDPEKHY-UHFFFAOYSA-N
    • Inchi: 1S/C8H13ClO/c1-2-3-4-5-6-7-8(9)10/h2H,1,3-7H2
    • InChI Key: JMOJBNHCDPEKHY-UHFFFAOYSA-N
    • SMILES: ClC(CCCCCC=C)=O

Computed Properties

  • Exact Mass: 160.06559
  • Monoisotopic Mass: 160.0654927g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 6
  • Complexity: 110
  • 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: 3.3
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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