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    CAS 89-01-0

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Pyrazine-2,3-dicarboxylic acid, 89-01-0, 2,3-dicarboxypyrazine, Pyrazine-2,3-dicarboxylate, 2,3-pyrazine dicarboxylic acid, Mfcd00006131
    Molecular Formula
    C6H4N2O4
    Molecular Weight
    168.11  g/mol
    InChI Key
    ZUCRGHABDDWQPY-UHFFFAOYSA-N
    FDA UNII
    QNN35WOF29
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    pyrazine-2,3-dicarboxylic acid
    2.1.2 InChI
    InChI=1S/C6H4N2O4/c9-5(10)3-4(6(11)12)8-2-1-7-3/h1-2H,(H,9,10)(H,11,12)
    2.1.3 InChI Key
    ZUCRGHABDDWQPY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CN=C(C(=N1)C(=O)O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    QNN35WOF29
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. Pyrazine-2,3-dicarboxylic Acid

    2. 89-01-0

    3. 2,3-dicarboxypyrazine

    4. Pyrazine-2,3-dicarboxylate

    5. 2,3-pyrazine Dicarboxylic Acid

    6. Mfcd00006131

    7. Qnn35wof29

    8. Nsc1908

    9. Nsc-1908

    10. 2,3-pyrazinedcarboxylicacid

    11. 2,3-pyrazinedicarboxylicacid

    12. Nsc 1908

    13. Einecs 201-875-3

    14. Unii-qnn35wof29

    15. Brn 0147982

    16. Maybridge1_001780

    17. Schembl69939

    18. 5-25-05-00383 (beilstein Handbook Reference)

    19. Pyrazine-2,3-dicarboxylicacid

    20. Pyrazine-2,3-dicaroxylic Acid

    21. 2,3-pyrazine-dicarboxylic Acid

    22. Pyrazine 2,3-dicarboxylic Acid

    23. Chembl2000672

    24. Hms546i20

    25. Pyrazine-2,3- Dicarboxylic Acid

    26. Dtxsid70237467

    27. Str06323

    28. Zinc3860696

    29. Am1214

    30. Bbl010075

    31. Btb 07953

    32. Ccg-45753

    33. Stk711154

    34. 2,3-pyrazinedicarboxylic Acid, 97%

    35. Akos000121437

    36. Ac-1922

    37. Cs-w017821

    38. Ps-8732

    39. Ncgc00336204-01

    40. Nci60_001592

    41. Sy008112

    42. 2,3-pyrazinedicarboxylic Acid [mi]

    43. Db-025266

    44. Ft-0609763

    45. P0545

    46. P-8100

    47. P19771

    48. Ab01141154-03

    49. J-511414

    50. Sr-01000635503-1

    51. Q27287370

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 168.11 g/mol
    Molecular Formula C6H4N2O4
    XLogP3-0.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass168.01710661 g/mol
    Monoisotopic Mass168.01710661 g/mol
    Topological Polar Surface Area100 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity184
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1