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  • 3,3''-diamino-5'-(3-amino-4-carboxyphenyl)-1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid

  • 3,3''-diamino-5'-(3-amino-4-carboxyphenyl)-1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid

    Catalog Number
    ACM1660960304-1
    CAS Number
    1660960-30-4
    Product Name
    3,3''-diamino-5'-(3-amino-4-carboxyphenyl)-1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid
    Category
    Carboxylic acid MOF ligand-tricarboxylic acid MOF ligand
    IUPAC Name
    2-amino-4-[3,5-bis(3-amino-4-carboxyphenyl)phenyl]benzoic acid
    Molecular Weight
    483.5g/mol
    Molecular Formula
    C27H21N3O6
    InChI
    InChI=1S/C27H21N3O6/c28-22-10-13(1-4-19(22)25(31)32)16-7-17(14-2-5-20(26(33)34)23(29)11-14)9-18(8-16)15-3-6-21(27(35)36)24(30)12-15/h1-12H,28-30H2,(H,31,32)(H,33,34)(H,35,36)
    InChI Key
    CYNMIFWAWKAHSG-UHFFFAOYSA-N
    Complexity
    707
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    483.14303540g/mol
    Formal Charge
    0
    Heavy Atom Count
    36
    Hydrogen Bond Acceptor Count
    9
    Hydrogen Bond Donor Count
    6
    Isotope Atom Count
    0
    Monoisotopic Mass
    483.14303540g/mol
    Rotatable Bond Count
    6
    Topological Polar Surface Area
    190Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    5
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