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    Gangwal Healthcare is powered by innovation, driving health, wellness & healing.

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    SPI Pharma has been solving formulation challenges using superior functional materials.

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    Chemistry

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    Also known as:
    Molecular Formula
    C12H14N2O4S
    Molecular Weight
    282.32  g/mol
    InChI Key
    OHFQGSXMJXLUAG-UHFFFAOYSA-N
    CAS 82957-06-0
    1 2D Structure

    CAS 82957-06-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-(diaminomethylidene)naphthalen-2-one;methanesulfonic acid
    2.1.2 InChI
    InChI=1S/C11H10N2O.CH4O3S/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9;1-5(2,3)4/h1-6H,12-13H2;1H3,(H,2,3,4)
    2.1.3 InChI Key
    OHFQGSXMJXLUAG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)O.C1=CC(=C(N)N)C=C2C1=CC(=O)C=C2
    2.1.5 Isomeric SMILES
    CS(=O)(=O)O.C1=CC(=C(N)N)C=C2C1=CC(=O)C=C2
    2.2 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 282.32 g/mol
    Molecular Formula C12H14N2O4S
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count0
    Exact Mass282.06742811 g/mol
    Monoisotopic Mass282.06742811 g/mol
    Topological Polar Surface Area132 A^2
    Heavy Atom Count19
    Formal Charge0
    Complexity537
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

    BUILDING BLOCK

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