Cas no 34097-95-5 (Benzenepropanal, b-ethyl-)

Benzenepropanal, b-ethyl- structure
Benzenepropanal, b-ethyl- structure
Product Name:Benzenepropanal, b-ethyl-
CAS No:34097-95-5
MF:C11H14O
MW:162.228263378143
CID:1466058
PubChem ID:12598587
Update Time:2025-04-20

Benzenepropanal, b-ethyl- Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanal, b-ethyl-
    • 3-Phenylpentanal
    • 34097-95-5
    • SCHEMBL464510
    • VEUKSXBNXUPLKJ-UHFFFAOYSA-N
    • Inchi： 1S/C11H14O/c1-2-10(8-9-12)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
    • InChI Key： VEUKSXBNXUPLKJ-UHFFFAOYSA-N
    • SMILES： O=CCC(C1C=CC=CC=1)CC

Computed Properties

  • Exact Mass: 162.104465066g/mol
  • Monoisotopic Mass: 162.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 125
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 17.1?2

Benzenepropanal, b-ethyl- Related Literature

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