Cas no 88299-23-4 (Coronene, ethynyl-)

Coronene, ethynyl- structure
Coronene, ethynyl- structure
Product Name:Coronene, ethynyl-
CAS No:88299-23-4
MF:C26H12
MW:324.37348651886
CID:638405
PubChem ID:71409411
Update Time:2025-04-19

Coronene, ethynyl- Chemical and Physical Properties

Names and Identifiers

    • Coronene, ethynyl-
    • 1-ethynylcoronene
    • Ethinylcoronen
    • 88299-23-4
    • DTXSID50829162
    • Inchi： 1S/C26H12/c1-2-14-13-19-10-9-17-6-4-15-3-5-16-7-8-18-11-12-20(14)26-24(18)22(16)21(15)23(17)25(19)26/h1,3-13H
    • InChI Key： XTHSGNSOYLDBIR-UHFFFAOYSA-N
    • SMILES： C12C3C=CC4=CC=C5C=CC6=CC=C7C=CC(=CC=3C#C)C=1C7=C6C5=C24

Computed Properties

  • Exact Mass: 324.093900383g/mol
  • Monoisotopic Mass: 324.093900383g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 1
  • Complexity: 652
  • 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: 7.7
  • Topological Polar Surface Area: 0?2

Coronene, ethynyl- Related Literature

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