Cas no 70972-98-4 (Benzaldehyde, 4-nonyl-)

Benzaldehyde, 4-nonyl- structure
Benzaldehyde, 4-nonyl- structure
Product Name:Benzaldehyde, 4-nonyl-
CAS No:70972-98-4
MF:C16H24O
MW:232.361165046692
CID:546317
PubChem ID:10933364
Update Time:2025-04-19

Benzaldehyde, 4-nonyl- Chemical and Physical Properties

Names and Identifiers

    • Benzaldehyde, 4-nonyl-
    • 4-nonylbenzaldehyde
    • DTXSID90448876
    • 70972-98-4
    • SCHEMBL1872841
    • 4-nonyl-benzaldehyde
    • 4-(n-nonyl)benzaldehyde
    • MLPGFYQRKQHSJN-UHFFFAOYSA-N
    • Inchi: 1S/C16H24O/c1-2-3-4-5-6-7-8-9-15-10-12-16(14-17)13-11-15/h10-14H,2-9H2,1H3
    • InChI Key: MLPGFYQRKQHSJN-UHFFFAOYSA-N
    • SMILES: O=CC1C=CC(=CC=1)CCCCCCCCC

Computed Properties

  • Exact Mass: 232.18282
  • Monoisotopic Mass: 232.182715385g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 9
  • Complexity: 180
  • 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: 5.7
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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