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  • 5,5',5''-(((2,4,6-Trimethylbenzene-1,3,5-5,5',5''-(((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))triisophthalicacid

  • 5,5',5''-(((2,4,6-Trimethylbenzene-1,3,5-5,5',5''-(((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))triisophthalicacid

    Catalog Number
    ACM1159974705-1
    CAS Number
    1159974-70-5
    Product Name
    5,5',5''-(((2,4,6-Trimethylbenzene-1,3,5-5,5',5''-(((2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))tris(oxy))triisophthalicacid
    Category
    Customizable MOF Linkers
    Synonyms
    1,3-Benzenedicarboxylicacid, 5,5',5''-[(2,4,6-trimethyl-1,3,5-benzenetriyl)tris(methyleneoxy)]tris-
    IUPAC Name
    5-[[3,5-bis[(3,5-dicarboxyphenoxy)methyl]-2,4,6-trimethylphenyl]methoxy]benzene-1,3-dicarboxylic acid
    Molecular Weight
    702.61
    Molecular Formula
    C36H30O15
    InChI
    InChI=1S/C36H30O15/c1-16-28(13-49-25-7-19(31(37)38)4-20(8-25)32(39)40)17(2)30(15-51-27-11-23(35(45)46)6-24(12-27)36(47)48)18(3)29(16)14-50-26-9-21(33(41)42)5-22(10-26)34(43)44/h4-12H,13-15H2,1-3H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)
    InChI Key
    MFCUYYDNBBTQKD-UHFFFAOYSA-N
    Purity
    95%
    Complexity
    1050
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    702.15847025g/mol
    Formal Charge
    0
    Heavy Atom Count
    51
    Hydrogen Bond Acceptor Count
    15
    Hydrogen Bond Donor Count
    6
    Isotope Atom Count
    0
    Monoisotopic Mass
    702.15847025g/mol
    Rotatable Bond Count
    15
    Topological Polar Surface Area
    252Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    4.6
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