Cas no 51079-96-0 (2,4,6-Heptatrienal, 7-(4-methoxyphenyl)-)

2,4,6-Heptatrienal, 7-(4-methoxyphenyl)- structure
51079-96-0 structure
Product Name:2,4,6-Heptatrienal, 7-(4-methoxyphenyl)-
CAS No:51079-96-0
MF:C14H14O2
MW:214.259764194489
CID:363323
PubChem ID:54517371
Update Time:2025-04-19

2,4,6-Heptatrienal, 7-(4-methoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2,4,6-Heptatrienal, 7-(4-methoxyphenyl)-
    • 7-(4-methoxyphenyl)hepta-2,4,6-trienal
    • 51079-96-0
    • DTXSID10711897
    • Inchi: 1S/C14H14O2/c1-16-14-10-8-13(9-11-14)7-5-3-2-4-6-12-15/h2-12H,1H3
    • InChI Key: YNILUQLYKFAYIY-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC(C=CC=CC=CC=O)=CC=1

Computed Properties

  • Exact Mass: 214.09942
  • Monoisotopic Mass: 214.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 5
  • Complexity: 269
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 3
  • XLogP3: 3.1
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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