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    CAS 826-81-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 2-methylquinolin-8-ol, 826-81-3, 2-methyl-8-quinolinol, 2-methyl-8-hydroxyquinoline, 8-quinolinol, 2-methyl-, 8-hydroxy-2-methylquinoline
    Molecular Formula
    C10H9NO
    Molecular Weight
    159.18  g/mol
    InChI Key
    NBYLBWHHTUWMER-UHFFFAOYSA-N
    FDA UNII
    7W631H5302
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-methylquinolin-8-ol
    2.1.2 InChI
    InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
    2.1.3 InChI Key
    NBYLBWHHTUWMER-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=NC2=C(C=CC=C2O)C=C1
    2.2 Other Identifiers
    2.2.1 UNII
    7W631H5302
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-methyl-8-hydroxyquinoline

    2.3.2 Depositor-Supplied Synonyms

    1. 2-methylquinolin-8-ol

    2. 826-81-3

    3. 2-methyl-8-quinolinol

    4. 2-methyl-8-hydroxyquinoline

    5. 8-quinolinol, 2-methyl-

    6. 8-hydroxy-2-methylquinoline

    7. 2-methyloxine

    8. Hydroxyquinaldine

    9. 8-hydroxyqinaldine

    10. 2-methyl-quinolin-8-ol

    11. Chembl316892

    12. Nsc-58553

    13. 7w631h5302

    14. 2-methyl 8-quinolinol

    15. Nsc-403349

    16. 8-hydroxyquinaldine (8-hydroxy-2-methylquinoline)

    17. Einecs 212-562-6

    18. Nsc 58553

    19. Brn 0119194

    20. 2-methyl-oxine

    21. Unii-7w631h5302

    22. 8-hydroxy-quinaldine

    23. Mfcd00006765

    24. Ec 212-562-6

    25. 8-hydroxy Quinaldine

    26. 5-21-03-00341 (beilstein Handbook Reference)

    27. Schembl297247

    28. 2-methyl-8-quinolinol, 98%

    29. Dtxsid3061184

    30. Chebi:180510

    31. Hms1647n13

    32. Act10324

    33. Nsc58553

    34. Bdbm50065785

    35. Stk037617

    36. Zinc12341384

    37. Akos000121472

    38. Cs-w004053

    39. Fs-2928

    40. Hydroxy-2-methylquinoline, 8-

    41. Sb67453

    42. Ncgc00188188-01

    43. Ac-12780

    44. Am804380

    45. Db-056646

    46. Ft-0621549

    47. M0420

    48. P20524

    49. W-104165

    50. Q27268939

    51. F0001-2119

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 159.18 g/mol
    Molecular Formula C10H9NO
    XLogP32.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass159.068413911 g/mol
    Monoisotopic Mass159.068413911 g/mol
    Topological Polar Surface Area33.1 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity160
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1