Cas no 22138-86-9 (Coronene-1-carbaldehyde)

Coronene-1-carbaldehyde structure
Coronene-1-carbaldehyde structure
Product Name:Coronene-1-carbaldehyde
CAS No:22138-86-9
MF:C25H12O
MW:328.362186431885
CID:2836365
PubChem ID:14121113
Update Time:2025-04-21

Coronene-1-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • DTXSID60556215
    • 22138-86-9
    • CORONENE-1-CARBALDEHYDE
    • DTXCID20506998
    • transcoronal
    • SCHEMBL9428116
    • Coronene-1-carbaldehyde
    • Inchi: 1S/C25H12O/c26-12-18-11-17-8-7-15-4-2-13-1-3-14-5-6-16-9-10-19(18)25-23(16)21(14)20(13)22(15)24(17)25/h1-12H
    • InChI Key: ZIBSSYPUGNXJFJ-UHFFFAOYSA-N
    • SMILES: O=CC1C=C2C=CC3=CC=C4C=CC5=CC=C6C=CC=1C1C6=C5C4=C3C=12

Computed Properties

  • Exact Mass: 328.088815002Da
  • Monoisotopic Mass: 328.088815002Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 1
  • Complexity: 611
  • 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
  • Topological Polar Surface Area: 17.1?2
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