Cas no 874499-18-0 (6-methylquinoline-2,3-dicarboxylic acid)

6-methylquinoline-2,3-dicarboxylic acid structure
874499-18-0 structure
Product Name:6-methylquinoline-2,3-dicarboxylic acid
CAS No:874499-18-0
MF:C12H9NO4
MW:231.204163312912
CID:867568
PubChem ID:17040008
Update Time:2025-04-19

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

Names and Identifiers

    • 6-methylquinoline-2,3-dicarboxylic acid
    • MFCD09787838
    • FT-0736077
    • AB52354
    • 874499-18-0
    • DTXSID60589149
    • DB-076960
    • Inchi: 1S/C12H9NO4/c1-6-2-3-9-7(4-6)5-8(11(14)15)10(13-9)12(16)17/h2-5H,1H3,(H,14,15)(H,16,17)
    • InChI Key: BODWUZRENXUAST-UHFFFAOYSA-N
    • SMILES: OC(C1=C(C(=O)O)N=C2C=CC(C)=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

  • Density: 1.462
  • Boiling Point: 433.6°C at 760 mmHg
  • Flash Point: 216.1°C
  • Refractive Index: 1.696
  • PSA: 87.49000
  • LogP: 1.93960

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

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