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  • [1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, 5',5''''-(1,4-naphthalenediyl)bis

  • [1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, 5',5''''-(1,4-naphthalenediyl)bis

    Catalog Number
    ACM1816997268-1
    CAS Number
    1816997-26-8
    Product Name
    [1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, 5',5''''-(1,4-naphthalenediyl)bis
    Category
    Carboxylic acid MOF ligand-polycarboxylic acid MOFs ligand
    Synonyms
    H4BPTC
    IUPAC Name
    4-[3-[4-[3,5-bis(4-carboxyphenyl)phenyl]naphthalen-1-yl]-5-(4-carboxyphenyl)phenyl]benzoic acid
    Molecular Weight
    760.78
    Molecular Formula
    C50H32O8
    InChI
    InChI=1S/C50H32O8/c51-47(52)33-13-5-29(6-14-33)37-23-38(30-7-15-34(16-8-30)48(53)54)26-41(25-37)43-21-22-44(46-4-2-1-3-45(43)46)42-27-39(31-9-17-35(18-10-31)49(55)56)24-40(28-42)32-11-19-36(20-12-32)50(57)58/h1-28H,(H,51,52)(H,53,54)(H,55,56)(H,57,58)
    InChI Key
    HSYRWJHNMHTPQS-UHFFFAOYSA-N
    Purity
    95%
    Appearance
    Off-white solid
    Complexity
    1220
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    760.20971797g/mol
    Formal Charge
    0
    Heavy Atom Count
    58
    Hydrogen Bond Acceptor Count
    8
    Hydrogen Bond Donor Count
    4
    Isotope Atom Count
    0
    Monoisotopic Mass
    760.20971797g/mol
    Rotatable Bond Count
    10
    Topological Polar Surface Area
    149Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    11
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