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  • Chelidonic acid monohydrate

    Catalog Number
    ACM6003947
    CAS Number
    6003-94-7
    Product Name
    Chelidonic acid monohydrate
    Structure
    Category
    Monomers
    IUPAC Name
    4-oxopyran-2,6-dicarboxylic acid;hydrate
    Molecular Weight
    202.12g/mol
    Molecular Formula
    C7H6O7
    Canonical SMILES
    C1=C(OC(=CC1=O)C(=O)O)C(=O)O.O
    InChI
    InChI=1S/C7H4O6.H₂O/c8-3-1-4(6(9)10)13-5(2-3)7(11)12;/h1-2H,(H,9,10)(H,11,12);1H2
    InChI Key
    KJZJAKSEIQOKAK-UHFFFAOYSA-N
    Purity
    technical
    Complexity
    316
    Covalently-Bonded Unit Count
    2
    Exact Mass
    202.011353g/mol
    Formal Charge
    0
    Heavy Atom Count
    14
    Monoisotopic Mass
    202.011353g/mol
    Rotatable Bond Count
    2
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