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    CAS 31570-97-5

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 31570-97-5, 5-hydroxy-2(1h)-quinolinone, 5-hydroxy-1h-quinolin-2-one, Quinoline-2,5-diol, 5-hydroxy-2-quinolone, Mfcd02181132
    Molecular Formula
    C9H7NO2
    Molecular Weight
    161.16  g/mol
    InChI Key
    XOXGLLQTNQBDKL-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-hydroxy-1H-quinolin-2-one
    2.1.2 InChI
    InChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-9(12)10-7/h1-5,11H,(H,10,12)
    2.1.3 InChI Key
    XOXGLLQTNQBDKL-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC2=C(C=CC(=O)N2)C(=C1)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 31570-97-5

    2. 5-hydroxy-2(1h)-quinolinone

    3. 5-hydroxy-1h-quinolin-2-one

    4. Quinoline-2,5-diol

    5. 5-hydroxy-2-quinolone

    6. Mfcd02181132

    7. 5-hydroxyquinolone

    8. 2(1h)-quinolinone, 5-hydroxy-

    9. 5-hydroxycarbostyril

    10. Nsc134652

    11. 2,5-dihydroxyquinoline

    12. Brexpiprazole Impurity 9

    13. 5-oxidanyl-1h-quinolin-2-one

    14. Schembl3874061

    15. Chebi:48995

    16. Dtxsid40419213

    17. Bcp24371

    18. Zinc16952034

    19. Akos005072168

    20. Cs-w004487

    21. Da-0923

    22. Mb02360

    23. Nsc-134652

    24. Am807161

    25. Da-06973

    26. Sy110039

    27. Ft-0670096

    28. 5-hydroxy-1,2-dihydroquinolin-2-one

    29. 570h975

    30. A820913

    31. J-517622

    32. Q27121429

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 161.16 g/mol
    Molecular Formula C9H7NO2
    XLogP31
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass161.047678466 g/mol
    Monoisotopic Mass161.047678466 g/mol
    Topological Polar Surface Area49.3 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity225
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1