Cas no 87901-88-0 (5-Chrysenecarboxaldehyde)

5-Chrysenecarboxaldehyde structure
5-Chrysenecarboxaldehyde structure
Product Name:5-Chrysenecarboxaldehyde
CAS No:87901-88-0
MF:C19H12O
MW:256.297985076904
CID:650872
PubChem ID:13202084
Update Time:2025-04-19

5-Chrysenecarboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-Chrysenecarboxaldehyde
    • chrysene-5-carbaldehyde
    • 87901-88-0
    • DTXSID80527083
    • Inchi: 1S/C19H12O/c20-12-15-11-14-6-2-3-7-16(14)18-10-9-13-5-1-4-8-17(13)19(15)18/h1-12H
    • InChI Key: OCFSKRMGFCNUMV-UHFFFAOYSA-N
    • SMILES: O=CC1C=C2C=CC=CC2=C2C=CC3C=CC=CC=3C2=1

Computed Properties

  • Exact Mass: 256.088815002g/mol
  • Monoisotopic Mass: 256.088815002g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 1
  • Complexity: 363
  • 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: 5.1
  • Topological Polar Surface Area: 17.1?2
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