Cas no 855696-12-7 (6-Cyanophenanthrene-9-carboxylic acid)

6-Cyanophenanthrene-9-carboxylic acid is a polycyclic aromatic compound featuring a cyano group at the 6-position and a carboxylic acid moiety at the 9-position. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for constructing functionalized phenanthrene derivatives. The electron-withdrawing cyano group enhances its utility in cross-coupling reactions, while the carboxylic acid allows for further derivatization or coordination chemistry applications. Its rigid aromatic framework is advantageous in materials science, such as designing fluorescent probes or organic semiconductors. The compound's purity and stability under standard conditions ensure consistent performance in research and industrial applications.
6-Cyanophenanthrene-9-carboxylic acid structure
855696-12-7 structure
Product Name:6-Cyanophenanthrene-9-carboxylic acid
CAS No:855696-12-7
MF:C16H9NO2
MW:247.248163938522
CID:1094124
PubChem ID:72942953
Update Time:2025-05-27

6-Cyanophenanthrene-9-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-Cyanophenanthrene-9-carboxylic acid
    • 6-Cyanophenanthrene-9-carboxylicacid
    • 855696-12-7
    • Inchi: 1S/C16H9NO2/c17-9-10-5-6-13-14(7-10)12-4-2-1-3-11(12)8-15(13)16(18)19/h1-8H,(H,18,19)
    • InChI Key: JIQCEIAJQLIPPE-UHFFFAOYSA-N
    • SMILES: OC(C1C=C2C=CC=CC2=C2C=C(C#N)C=CC2=1)=O

Computed Properties

  • Exact Mass: 247.063328530g/mol
  • Monoisotopic Mass: 247.063328530g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 1
  • Complexity: 410
  • 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: 3.7
  • Topological Polar Surface Area: 61.1?2

6-Cyanophenanthrene-9-carboxylic acid Pricemore >>

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