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  • 2,5-Diaminoterephthalic acid

    • 2,5-Diaminoterephthalic acid

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    Catalog Number
    ACM945302-2
    Product Name
    2,5-Diaminoterephthalic acid
    Structure
    CAS
    945-30-2
    Category
    Carboxylic acid MOF ligand-dicarboxylic acid MOF ligand
    Synonyms
    2,5-Diaminobenzene-1,4-dicarboxylic acid
    IUPAC Name
    2,5-diaminoterephthalic acid
    Molecular Weight
    196.16
    Molecular Formula
    C8H8N2O4
    Canonical SMILES
    C1=C(C(=CC(=C1N)C(=O)O)N)C(=O)O
    InChI
    InChI=1S/C8H8N2O4/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2H,9-10H2,(H,11,12)(H,13,14)
    InChI Key
    WIOZZYWDYUOMAY-UHFFFAOYSA-N
    Melting Point
    >300 °C
    Purity
    95%+
    Appearance
    Solid
    Complexity
    230
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    196.04840674g/mol
    Formal Charge
    0
    Heavy Atom Count
    14
    Hydrogen Bond Acceptor Count
    6
    Hydrogen Bond Donor Count
    4
    Isotope Atom Count
    0
    Monoisotopic Mass
    196.04840674g/mol
    Rotatable Bond Count
    2
    Topological Polar Surface Area
    127Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    0.7
    MSDS
    Download MSDS
    COA
    Download COA
    Spec Sheet
    Download Spec Sheet
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