Cas no 892874-73-6 (8-methylquinoline-2,3-dicarboxylic acid)

8-Methylquinoline-2,3-dicarboxylic acid is a versatile quinoline derivative characterized by its dicarboxylic acid functional groups at the 2- and 3-positions and a methyl substituent at the 8-position. This compound serves as a valuable intermediate in organic synthesis, particularly in the preparation of heterocyclic compounds, coordination complexes, and pharmaceutical scaffolds. Its rigid quinoline backbone and bifunctional carboxylic groups enable precise modifications, making it useful in ligand design and metal-organic frameworks (MOFs). The methyl group enhances steric and electronic properties, influencing reactivity and selectivity in synthetic applications. High purity grades are available for research and industrial use, ensuring consistent performance in demanding chemical processes.
8-methylquinoline-2,3-dicarboxylic acid structure
892874-73-6 structure
Product Name:8-methylquinoline-2,3-dicarboxylic acid
CAS No:892874-73-6
MF:C12H9NO4
MW:231.204163312912
CID:867647
PubChem ID:17039622
Update Time:2025-06-07

8-methylquinoline-2,3-dicarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 8-methylquinoline-2,3-dicarboxylic acid
    • 8-Methyl-quinoline-2,3-dicarboxylic acid
    • QU130
    • SCHEMBL2804814
    • MFCD08437583
    • FT-0765458
    • AB45144
    • DTXSID20588895
    • 892874-73-6
    • DB-078377
    • Inchi： 1S/C12H9NO4/c1-6-3-2-4-7-5-8(11(14)15)10(12(16)17)13-9(6)7/h2-5H,1H3,(H,14,15)(H,16,17)
    • InChI Key： IHRBRFOKZGICCR-UHFFFAOYSA-N
    • SMILES： OC(C1=C(C(=O)O)N=C2C(C)=CC=CC2=C1)=O

Computed Properties

  • Exact Mass: 231.05300
  • Monoisotopic Mass: 231.05315777g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 331
  • 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: 1.9
  • Topological Polar Surface Area: 87.5?2

Experimental Properties

  • PSA: 87.49000
  • LogP: 1.93960

8-methylquinoline-2,3-dicarboxylic acid Pricemore >>

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