Cas no 20175-19-3 (2-benzylidenenonanal)

2-benzylidenenonanal structure
2-benzylidenenonanal structure
Product Name:2-benzylidenenonanal
CAS No:20175-19-3
MF:C16H22O
MW:230.345284938812
CID:1391127
PubChem ID:89284
Update Time:2025-04-20

2-benzylidenenonanal Chemical and Physical Properties

Names and Identifiers

    • 2-benzylidenenonanal
    • nonanal, 2-(phenylmethylene)-
    • SCHEMBL9019322
    • alpha-Heptylcinnamaldehyde
    • Heptylcinnamaldehyde
    • 20175-19-3
    • a-heptylcinnamaldehyde
    • DTXSID2066563
    • alpha-heptyl cinnamaldehyde
    • Inchi: 1S/C16H22O/c1-2-3-4-5-7-12-16(14-17)13-15-10-8-6-9-11-15/h6,8-11,13-14H,2-5,7,12H2,1H3
    • InChI Key: VXDUTTLHVAAEFQ-UHFFFAOYSA-N
    • SMILES: O=CC(=CC1C=CC=CC=1)CCCCCCC

Computed Properties

  • Exact Mass: 230.16716
  • Monoisotopic Mass: 230.167065321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 8
  • Complexity: 224
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 5.3
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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