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    Technical details about CAS 888504-28-7, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 888504-28-7

    BUILDING BLOCK

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    2D Structure
    Also known as: 888504-28-7, 5-methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt, Potassium 5-methyl-[1,3,4]oxadiazole-2-carboxylate, 5-methyl-1,3,4-oxadiazole-2-carboxylic acid, potassium salt, Potassium;5-methyl-1,3,4-oxadiazole-2-carboxylate, Mfcd08060085
    Molecular Formula
    C4H3KN2O3
    Molecular Weight
    166.18  g/mol
    InChI Key
    BRHMYHXNUGVBCU-UHFFFAOYSA-M
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    potassium;5-methyl-1,3,4-oxadiazole-2-carboxylate
    2.1.2 InChI
    InChI=1S/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1
    2.1.3 InChI Key
    BRHMYHXNUGVBCU-UHFFFAOYSA-M
    2.1.4 Canonical SMILES
    CC1=NN=C(O1)C(=O)[O-].[K+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 888504-28-7

    2. 5-methyl-1,3,4-oxadiazole-2-carboxylic Acid Potassium Salt

    3. Potassium 5-methyl-[1,3,4]oxadiazole-2-carboxylate

    4. 5-methyl-1,3,4-oxadiazole-2-carboxylic Acid, Potassium Salt

    5. Potassium;5-methyl-1,3,4-oxadiazole-2-carboxylate

    6. Mfcd08060085

    7. 1,3,4-oxadiazole-2-carboxylic Acid, 5-methyl-, Potassium Salt

    8. Schembl52283

    9. Potassium,5-methyl-1,3,4-oxadiazole-2-carboxylate

    10. Amot0361

    11. Dtxsid90647544

    12. 5-methyl-[1,3,4]oxadiazole-2-carboxylic Acid Potassium Salt

    13. Bcp12476

    14. Akos006285709

    15. Am85947

    16. Cs-w000575

    17. Pb14509

    18. Ac-27019

    19. As-70543

    20. Sy025650

    21. Ft-0671940

    22. P2220

    23. 1h-imidazole, 4,5-dihydro-2-(2-cholrophenyl)-

    24. A842971

    25. J-524013

    26. Potassium 5-methyl-[1,2,4]-oxadiazole-2-carboxylate

    27. Potassium; 5-methyl-[1,3,4]oxadiazole-2-carboxylate

    28. F2147-1032

    29. Z1741978257

    30. 5-methyl-[1,3,4]oxadiazol Carboxylic Acid Potassium Salt

    31. 5-methyl-1,3,4-oxadiazole-2-carboxylic Acid Potassium Salt, Aldrichcpr

    32. 5-methyl-1,3,4-oxadiazole-2-carboxylic Acid Potassium Salt;potassium 5-methyl-1,3,4-oxadiazole-2-carboxylate

    2.3 Create Date
    2008-06-26
    3 Chemical and Physical Properties
    Molecular Weight 166.18 g/mol
    Molecular Formula C4H3KN2O3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass165.97807345 g/mol
    Monoisotopic Mass165.97807345 g/mol
    Topological Polar Surface Area79 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity132
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2