Cas no 77468-40-7 (Phenanthrenecarboxaldehyde(6CI,9CI))

Phenanthrenecarboxaldehyde(6CI,9CI) structure
77468-40-7 structure
Product Name:Phenanthrenecarboxaldehyde(6CI,9CI)
CAS No:77468-40-7
MF:C15H10O
MW:206.239304065704
CID:577564
PubChem ID:186960
Update Time:2025-04-19

Phenanthrenecarboxaldehyde(6CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Phenanthrenecarboxaldehyde(6CI,9CI)
    • phenanthrene-1-carbaldehyde
    • 77468-40-7
    • 14941-96-9
    • 1-Phenanthrylcarbaldehyde
    • SCHEMBL548120
    • Phenanthrenecarboxaldehyde
    • C15H10O
    • DTXSID90998664
    • phenanthrene-carboxaldehyde
    • Inchi: 1S/C15H10O/c16-10-12-5-3-7-15-13-6-2-1-4-11(13)8-9-14(12)15/h1-10H
    • InChI Key: RGHWXPPXQQVOKA-UHFFFAOYSA-N
    • SMILES: O=CC1=CC=CC2C1=CC=C1C=CC=CC=21

Computed Properties

  • Exact Mass: 206.073164938g/mol
  • Monoisotopic Mass: 206.073164938g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 260
  • 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: 3.9
  • Topological Polar Surface Area: 17.1?2
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