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    CAS 50890-83-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 50890-83-0, 1-methyl-1h-indazole-3-carboxylic acid, 1h-indazole-3-carboxylic acid, 1-methyl-, N-methyl-indazole-3-carboxylic acid, 3-carboxy-1-methylindazole, 1-methyl-indazole-3-carboxylic acid
    Molecular Formula
    C9H8N2O2
    Molecular Weight
    176.17  g/mol
    InChI Key
    OVVDFORZEGKEJM-UHFFFAOYSA-N
    FDA UNII
    F9P5J2E2BU
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-methylindazole-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C9H8N2O2/c1-11-7-5-3-2-4-6(7)8(10-11)9(12)13/h2-5H,1H3,(H,12,13)
    2.1.3 InChI Key
    OVVDFORZEGKEJM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C2=CC=CC=C2C(=N1)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    F9P5J2E2BU
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 50890-83-0

    2. 1-methyl-1h-indazole-3-carboxylic Acid

    3. 1h-indazole-3-carboxylic Acid, 1-methyl-

    4. N-methyl-indazole-3-carboxylic Acid

    5. 3-carboxy-1-methylindazole

    6. 1-methyl-indazole-3-carboxylic Acid

    7. Mfcd00272569

    8. 1-methyl-1h-indazole-3-carboxylicacid

    9. F9p5j2e2bu

    10. 1-methylindazole-3-carboxylic Acid (granisetron Impurity D)

    11. N-methylindazole-3-carboxylic Acid

    12. 1-methylindozole-3-carboxylic Acid

    13. Granisetron Related Compound D [usp-rs]

    14. Granisetron Related Compound D

    15. 1-methyl-3-indazolecarboxylic Acid

    16. Unii-f9p5j2e2bu

    17. Aq-358/41297702

    18. Schembl496589

    19. Zinc58277

    20. 1-methyl-indazole-carboxylic-acid

    21. Dtxsid10351050

    22. 1-methyl-3-indazolylcarboxylic Acid

    23. Albb-006391

    24. Bcp16662

    25. N-methyl-indozole-3-carboxylic Acid

    26. 1-methyl-indozole-3-carboxylic Acid

    27. N-methyl Indazole-3-carboxylic Acid

    28. Stk503888

    29. Akos000265203

    30. Ac-1977

    31. Cs-w007927

    32. Fs-2172

    33. Pb33889

    34. N-methyl-(1h)indazole-3-carboxylic Acid

    35. Sy002051

    36. 1-methylindazole-3-carboxylic Acid, 97%

    37. Db-011636

    38. Am20040587

    39. Bb 0255029

    40. Ft-0639948

    41. M2143

    42. 90m830

    43. A1-01699

    44. J-504878

    45. J-650195

    46. Granisetron Related Compound D, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-07-07
    3 Chemical and Physical Properties
    Molecular Weight 176.17 g/mol
    Molecular Formula C9H8N2O2
    XLogP31.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass176.058577502 g/mol
    Monoisotopic Mass176.058577502 g/mol
    Topological Polar Surface Area55.1 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity220
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1