Cas no 7596-64-7 ( )

  structure
  structure
Product Name: 
CAS No:7596-64-7
MF:C7H5NO5
MW:183.118302106857
CID:982211
PubChem ID:348131
Update Time:2025-04-19

  Chemical and Physical Properties

Names and Identifiers

    • 6-oxo-1H-pyridine-2,3-dicarboxylic acid
    • 6-Hydroxychinolinsaeure
    • 6-Hydroxy-pyridin-2,3-dicarbonsaeure
    • 6-hydroxypyridine-2,3-dicarboxylic acid
    • 6-hydroxy-pyridine-2,3-dicarboxylic acid
    • 6-hydroxyquinolinic acid
    • AC1L88VS
    • CTK2H9307
    • NSC407242
    • SureCN1520617
    • DTXSID40324616
    • NSC-407242
    • SCHEMBL1520617
    • 7596-64-7
    •  
    • Inchi: 1S/C7H5NO5/c9-4-2-1-3(6(10)11)5(8-4)7(12)13/h1-2H,(H,8,9)(H,10,11)(H,12,13)
    • InChI Key: ZFPMYAUSXJJFFE-UHFFFAOYSA-N
    • SMILES: O=C1C=CC(C(=O)O)=C(C(=O)O)N1

Computed Properties

  • Exact Mass: 183.01675
  • Monoisotopic Mass: 183.01677226g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 352
  • 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: -0.8
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • PSA: 103.7
  • LogP: -0.22870
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