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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 1442437-21-9, 4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxylic acid, 1823277-97-9, 4-hydroxy-6-oxo-1h-pyridazine-3-carboxylic acid, Mfcd30489098, 3-pyridazinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-
    Molecular Formula
    C5H4N2O4
    Molecular Weight
    156.10  g/mol
    InChI Key
    XCNDXNJULVWJCE-UHFFFAOYSA-N
    CAS 1442437-21-9
    1 2D Structure

    CAS 1442437-21-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-hydroxy-6-oxo-1H-pyridazine-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C5H4N2O4/c8-2-1-3(9)6-7-4(2)5(10)11/h1H,(H,10,11)(H2,6,8,9)
    2.1.3 InChI Key
    XCNDXNJULVWJCE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C(=NNC1=O)C(=O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1442437-21-9

    2. 4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxylic Acid

    3. 1823277-97-9

    4. 4-hydroxy-6-oxo-1h-pyridazine-3-carboxylic Acid

    5. Mfcd30489098

    6. 3-pyridazinecarboxylic Acid, 1,6-dihydro-4-hydroxy-6-oxo-

    7. Schembl15111615

    8. Bcp33977

    9. Akos030527475

    10. As-70393

    11. Sy271720

    12. Cs-0130938

    13. En300-111159

    14. W15300

    15. W19694

    16. A901279

    17. 4-hydroxy-6-oxo-1,6-dihydropyridazine-3-carboxylicacid

    18. Z1431403161

    2.3 Create Date
    2011-12-26
    3 Chemical and Physical Properties
    Molecular Weight 156.10 g/mol
    Molecular Formula C5H4N2O4
    XLogP3-0.4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area99
    Heavy Atom Count11
    Formal Charge0
    Complexity278
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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