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  • 2,5-Dihydroxy-1,4-benzenediacetic acid

    • 2,5-Dihydroxy-1,4-benzenediacetic acid

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    Catalog Number
    ACM5488164
    Product Name
    2,5-Dihydroxy-1,4-benzenediacetic acid
    Structure
    CAS
    5488-16-4
    Category
    Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
    Synonyms
    2-[4-(Carboxylatomethyl)-2,5-dihydroxyphenyl]acetate
    IUPAC Name
    2-[4-(carboxymethyl)-2,5-dihydroxyphenyl]acetic acid
    Molecular Weight
    226.18
    Molecular Formula
    C10H10O6
    Canonical SMILES
    C1=C(C(=CC(=C1O)CC(=O)O)O)CC(=O)O
    InChI
    InChI=1S/C10H10O6/c11-7-1-5(3-9(13)14)8(12)2-6(7)4-10(15)16/h1-2,11-12H,3-4H2,(H,13,14)(H,15,16)
    InChI Key
    MCLKERLHVBEZIW-UHFFFAOYSA-N
    Boiling Point
    574.5ºC at 760mmHg
    Melting Point
    281-283ºC (dec.)(lit.)
    Flash Point
    315.3ºC
    Purity
    98%
    Density
    1.602g/cm³
    Complexity
    249
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    EC Number
    226-819-5
    Exact Mass
    226.04773803g/mol
    Formal Charge
    0
    Hazard Statements
    Xi
    Heavy Atom Count
    16
    Hydrogen Bond Acceptor Count
    6
    Hydrogen Bond Donor Count
    4
    Isotope Atom Count
    0
    Monoisotopic Mass
    226.04773803g/mol
    NSC Number
    30144
    Rotatable Bond Count
    4
    Safety Description
    S24/25
    Topological Polar Surface Area
    115Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    0.1
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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