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    Technical details about Monoethyl Fumarate Zinc Salt, learn more about the structure, uses, toxicity, action, side effects and more

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    Monoethyl Fumarate Zinc Salt

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    2D Structure
    1. Also known as: Nsc-245298, Nsc245298
    Molecular Formula
    C6H8O4Zn+2
    Molecular Weight
    209.5  g/mol
    InChI Key
    PZCCXPJZQMLWGM-BJILWQEISA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    zinc;(E)-4-ethoxy-4-oxobut-2-enoic acid
    2.1.2 InChI
    InChI=1S/C6H8O4.Zn/c1-2-10-6(9)4-3-5(7)8;/h3-4H,2H2,1H3,(H,7,8);/q;+2/b4-3+;
    2.1.3 InChI Key
    PZCCXPJZQMLWGM-BJILWQEISA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C=CC(=O)O.[Zn+2]
    2.1.5 Isomeric SMILES
    CCOC(=O)/C=C/C(=O)O.[Zn+2]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Nsc-245298

    2. Nsc245298

    2.3 Create Date
    2011-12-19
    3 Chemical and Physical Properties
    Molecular Weight 209.5 g/mol
    Molecular Formula C6H8O4Zn+2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count4
    Exact Mass207.971401 g/mol
    Monoisotopic Mass207.971401 g/mol
    Topological Polar Surface Area63.6 Ų
    Heavy Atom Count11
    Formal Charge2
    Complexity159
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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