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    CAS 39713-36-5 manufacturers and suppliers on PharmaCompass

    Interquim comes from an international group of 50 companies active in the pharma, hospital, diagnostics, fine chemicals & feed sectors.

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    Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

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    xyz-pharma-m-2024-10-07

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    Sharp is a global leader in pharmaceutical packaging and clinical trial supply services.

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    Aspen API. More than just an API.

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    xyz-pharma-m-2024-10-07

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    BUILDING BLOCK

    PharmaCompass

    Chemistry

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    Also known as:
    Molecular Formula
    C14H13NO6
    Molecular Weight
    291.26  g/mol
    InChI Key
    WZXKBBAYSCZGDE-UHFFFAOYSA-N
    CAS 39713-36-5
    1 2D Structure

    CAS 39713-36-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    dimethyl 5,9-dihydroxy-7H-cyclohepta[b]pyridine-6,8-dicarboxylate
    2.1.2 InChI
    InChI=1S/C14H13NO6/c1-20-13(18)8-6-9(14(19)21-2)12(17)10-7(11(8)16)4-3-5-15-10/h3-5,16-17H,6H2,1-2H3
    2.1.3 InChI Key
    WZXKBBAYSCZGDE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=C(C2=C(C(=C(C1)C(=O)OC)O)N=CC=C2)O
    2.2 Create Date
    2019-10-30
    3 Chemical and Physical Properties
    Molecular Weight 291.26 g/mol
    Molecular Formula C14H13NO6
    XLogP31.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count4
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area106
    Heavy Atom Count21
    Formal Charge0
    Complexity522
    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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