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    Meconic Acid

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 16,670Xls

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    2D Structure
    Also known as: 497-59-6, Poppy acid, 3-hydroxy-4-oxopyran-2,6-dicarboxylic acid, 3-hydroxy-4-oxo-4h-pyran-2,6-dicarboxylic acid, Chembl109516, Nsc805
    Molecular Formula
    C7H4O7
    Molecular Weight
    200.10  g/mol
    InChI Key
    ZEGRKMXCOCRTCS-UHFFFAOYSA-N
    FDA UNII
    V502I79516
    meconic acid is a natural product found in Papaver somniferum with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-hydroxy-4-oxopyran-2,6-dicarboxylic acid
    2.1.2 InChI
    InChI=1S/C7H4O7/c8-2-1-3(6(10)11)14-5(4(2)9)7(12)13/h1,9H,(H,10,11)(H,12,13)
    2.1.3 InChI Key
    ZEGRKMXCOCRTCS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(OC(=C(C1=O)O)C(=O)O)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    V502I79516
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 497-59-6

    2. Poppy Acid

    3. 3-hydroxy-4-oxopyran-2,6-dicarboxylic Acid

    4. 3-hydroxy-4-oxo-4h-pyran-2,6-dicarboxylic Acid

    5. Chembl109516

    6. Nsc805

    7. Nsc-805

    8. V502i79516

    9. Oxychelidonic Acid

    10. 3-hydroxy-4-oxo-1,4-pyran-2,6-dicarboxylic Acid

    11. Mekonsaure

    12. Opium Acid

    13. Nsc 805

    14. Unii-v502i79516

    15. Einecs 207-848-2

    16. Noname_429

    17. Meconic Acid [mi]

    18. Schembl546968

    19. Schembl600257

    20. 4h-pyran-2,6-dicarboxylic Acid, 3-hydroxy-4-oxo-

    21. Dtxsid2060096

    22. Dtxsid20901328

    23. Chebi:166570

    24. 4h-pyran-2, 3-hydroxy-4-oxo-

    25. Zinc1587602

    26. Bdbm50147502

    27. 3-hydroxy-4-pyrone-2,6-dicarboxylic Acid

    28. Db-083476

    29. Ft-0710230

    30. 3-hydroxy-4-oxo-pyran-2,6-dicarboxylic Acid

    31. C20209

    32. Q421116

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 200.10 g/mol
    Molecular Formula C7H4O7
    XLogP30
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count2
    Exact Mass199.99570246 g/mol
    Monoisotopic Mass199.99570246 g/mol
    Topological Polar Surface Area121 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity387
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1