Cas no 1921-90-0 ((E)-2-benzylidenecyclopentanone)

(E)-2-benzylidenecyclopentanone structure
1921-90-0 structure
Product Name:(E)-2-benzylidenecyclopentanone
CAS No:1921-90-0
MF:C12H12O
MW:172.223083496094
CID:840275
PubChem ID:1551028
Update Time:2025-04-19

(E)-2-benzylidenecyclopentanone Chemical and Physical Properties

Names and Identifiers

    • (E)-2-benzylidenecyclopentanone
    • Inchi： 1S/C12H12O/c13-12-8-4-7-11(12)9-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2/b11-9+
    • InChI Key： ZFJFROHCPHULKY-PKNBQFBNSA-N
    • SMILES： O=C1/C(=C/C2C=CC=CC=2)/CCC1

Computed Properties

  • Exact Mass: 172.089
  • Monoisotopic Mass: 172.089
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 221
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 17.1?2

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