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  • 2-Carboxyphenylboronic acid dihydrate

  • 2-Carboxyphenylboronic acid dihydrate

    Catalog Number
    ACM1257650886
    CAS Number
    1257650-88-6
    Product Name
    2-Carboxyphenylboronic acid dihydrate
    Structure
    Category
    Salt
    IUPAC Name
    2-boronobenzoic acid;dihydrate
    Molecular Weight
    201.97g/mol
    Molecular Formula
    C7H11BO6
    Canonical SMILES
    B(C1=CC=CC=C1C(=O)O)(O)O.O.O
    InChI
    InChI=1S/C7H7BO4.2H₂O/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4,11-12H,(H,9,10);2*1H2
    InChI Key
    XHFHPLIGSGHNOD-UHFFFAOYSA-N
    Complexity
    171
    Covalently-Bonded Unit Count
    3
    Exact Mass
    202.064868g/mol
    Formal Charge
    0
    Heavy Atom Count
    14
    Monoisotopic Mass
    202.064868g/mol
    Rotatable Bond Count
    2
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