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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as: 854515-52-9, 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid, Mfcd12547297, 6-hydroxy-2-methyl-3-benzofurancarboxylic acid, 6-hydroxy-2-methylbenzofuran-3-carboxylicacid, 6-hydroxy-2-methyl-benzofuran-3-carboxylic acid
    Molecular Formula
    C10H8O4
    Molecular Weight
    192.17  g/mol
    InChI Key
    JVELFLPOFDICQP-UHFFFAOYSA-N
    CAS 854515-52-9
    1 2D Structure

    CAS 854515-52-9

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-hydroxy-2-methyl-1-benzofuran-3-carboxylic acid
    2.1.2 InChI
    InChI=1S/C10H8O4/c1-5-9(10(12)13)7-3-2-6(11)4-8(7)14-5/h2-4,11H,1H3,(H,12,13)
    2.1.3 InChI Key
    JVELFLPOFDICQP-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 854515-52-9

    2. 6-hydroxy-2-methyl-1-benzofuran-3-carboxylic Acid

    3. Mfcd12547297

    4. 6-hydroxy-2-methyl-3-benzofurancarboxylic Acid

    5. 6-hydroxy-2-methylbenzofuran-3-carboxylicacid

    6. 6-hydroxy-2-methyl-benzofuran-3-carboxylic Acid

    7. Schembl2083566

    8. Dtxsid00622867

    9. Jvelflpofdicqp-uhfffaoysa-n

    10. Akos015909523

    11. Ts-02708

    12. Db-027118

    13. Cs-0456411

    14. F30042

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 192.17 g/mol
    Molecular Formula C10H8O4
    XLogP31.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area70.7
    Heavy Atom Count14
    Formal Charge0
    Complexity240
    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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