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  • 6,6',6''-(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(2-naphthoic acid)

  • 6,6',6''-(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(2-naphthoic acid)

    Catalog Number
    ACM1907697577-1
    CAS Number
    1907697-57-7
    Product Name
    6,6',6''-(2,4,6-Trimethylbenzene-1,3,5-triyl)tris(2-naphthoic acid)
    Category
    Carboxylic acid MOF ligand-tricarboxylic acid MOF ligand
    Synonyms
    2-Naphthalenecarboxylic acid, 6,6',6''-(2,4,6-trimethyl-1,3,5-benzenetriyl)tris-
    IUPAC Name
    6-[3,5-bis(6-carboxynaphthalen-2-yl)-2,4,6-trimethylphenyl]naphthalene-2-carboxylic acid
    Molecular Weight
    630.68
    Molecular Formula
    C42H30O6
    InChI
    InChI=1S/C42H30O6/c1-22-37(31-10-4-28-19-34(40(43)44)13-7-25(28)16-31)23(2)39(33-12-6-30-21-36(42(47)48)15-9-27(30)18-33)24(3)38(22)32-11-5-29-20-35(41(45)46)14-8-26(29)17-32/h4-21H,1-3H3,(H,43,44)(H,45,46)(H,47,48)
    InChI Key
    PVASLHHVLRBRMR-UHFFFAOYSA-N
    Purity
    98%+
    Appearance
    Off-white powder
    Complexity
    1020
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    630.20423867g/mol
    Formal Charge
    0
    Heavy Atom Count
    48
    Hydrogen Bond Acceptor Count
    6
    Hydrogen Bond Donor Count
    3
    Isotope Atom Count
    0
    Monoisotopic Mass
    630.20423867g/mol
    Rotatable Bond Count
    6
    Topological Polar Surface Area
    112Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    10.2
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