Cas no 825629-35-4 (3-Tetracosanone, 1-phenyl-)

3-Tetracosanone, 1-phenyl- structure
3-Tetracosanone, 1-phenyl- structure
Product Name:3-Tetracosanone, 1-phenyl-
CAS No:825629-35-4
MF:C30H52O
MW:428.733289718628
CID:688358
PubChem ID:71418128
Update Time:2025-04-19

3-Tetracosanone, 1-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Tetracosanone, 1-phenyl-
    • 1-phenyltetracosan-3-one
    • DTXSID60837455
    • 825629-35-4
    • Inchi: 1S/C30H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(31)28-27-29-24-21-20-22-25-29/h20-22,24-25H,2-19,23,26-28H2,1H3
    • InChI Key: IKEONMOQUQYZFR-UHFFFAOYSA-N
    • SMILES: O=C(CCC1C=CC=CC=1)CCCCCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 428.401816278g/mol
  • Monoisotopic Mass: 428.401816278g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 23
  • Complexity: 369
  • 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: 12.4
  • Topological Polar Surface Area: 17.1?2
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