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  • 1,2,3-Triazole-4,5-dicarboxylic acid

  • 1,2,3-Triazole-4,5-dicarboxylic acid

    Catalog Number
    ACM4546956-2
    CAS Number
    4546-95-6
    Product Name
    1,2,3-Triazole-4,5-dicarboxylic acid
    Structure
    Category
    MOF&COF-Ligand
    Synonyms
    1H-1,2,3-Triazole-4,5-Dicarboxylic Acid; 2H-triazole-4,5-dicarboxylic acid
    IUPAC Name
    2H-triazole-4,5-dicarboxylic acid
    Molecular Weight
    157.08
    Molecular Formula
    C4H3N3O4
    InChI
    InChI=1S/C4H3N3O4/c8-3(9)1-2(4(10)11)6-7-5-1/h(H,8,9)(H,10,11)(H,5,6,7)
    InChI Key
    TZFOEYRGARRRGO-UHFFFAOYSA-N
    Purity
    97%
    Appearance
    White solid
    Complexity
    174
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    157.01235559g/mol
    Formal Charge
    0
    Heavy Atom Count
    11
    Hydrogen Bond Acceptor Count
    6
    Hydrogen Bond Donor Count
    3
    Isotope Atom Count
    0
    Monoisotopic Mass
    157.01235559g/mol
    NSC Number
    83126
    Rotatable Bond Count
    2
    Topological Polar Surface Area
    116Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    -0.7
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