Cas no 181021-86-3 (4-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-2-oxo-)

4-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-2-oxo- structure
181021-86-3 structure
Product Name:4-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-2-oxo-
CAS No:181021-86-3
MF:C10H11NO3
MW:193.199242830276
CID:1372954
PubChem ID:15256289
Update Time:2025-04-20

4-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-2-oxo- Chemical and Physical Properties

Names and Identifiers

    • 4-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-2-oxo-
    • 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-4-carboxylic acid
    • Z1262520143
    • 181021-86-3
    • CHEMBL2048374
    • 5,6-tetramethylene-2-hydroxyisonicotinic acid
    • DTXSID60570537
    • CS-0102386
    • G55458
    • EN300-118737
    • 2-oxo-1,2,5,6,7,8-hexahydroquinoline-4-carboxylicacid
    • 2-oxo-1,2,5,6,7,8-hexahydroquinoline-4-carboxylic acid
    • SCHEMBL26106785
    • AKOS022699608
    • Inchi: 1S/C10H11NO3/c12-9-5-7(10(13)14)6-3-1-2-4-8(6)11-9/h5H,1-4H2,(H,11,12)(H,13,14)
    • InChI Key: UHPGAHWIJWPXEA-UHFFFAOYSA-N
    • SMILES: O=C1C=C(C(=O)O)C2=C(CCCC2)N1

Computed Properties

  • Exact Mass: 193.07393
  • Monoisotopic Mass: 193.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 366
  • 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: 0.2
  • Topological Polar Surface Area: 66.4?2

Experimental Properties

  • PSA: 66.4

4-Quinolinecarboxylic acid, 1,2,5,6,7,8-hexahydro-2-oxo- Pricemore >>

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