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  • 5'-methyl-[1,1':3',1''-Terphenyl]-3,3'',5,5''-tetracarboxylic acid

  • 5'-methyl-[1,1':3',1''-Terphenyl]-3,3'',5,5''-tetracarboxylic acid

    Catalog Number
    ACM1433189286-1
    CAS Number
    1433189-28-6
    Product Name
    5'-methyl-[1,1':3',1''-Terphenyl]-3,3'',5,5''-tetracarboxylic acid
    Category
    Carboxylic acid MOF ligand-tetracarboxylic acid MOF ligand
    IUPAC Name
    5-[3-(3,5-dicarboxyphenyl)-5-methylphenyl]benzene-1,3-dicarboxylic acid
    Molecular Weight
    420.4g/mol
    Molecular Formula
    C23H16O8
    InChI
    InChI=1S/C23H16O8/c1-11-2-12(14-5-16(20(24)25)9-17(6-14)21(26)27)4-13(3-11)15-7-18(22(28)29)10-19(8-15)23(30)31/h2-10H,1H3,(H,24,25)(H,26,27)(H,28,29)(H,30,31)
    InChI Key
    OIKMFVSIENQCFU-UHFFFAOYSA-N
    Complexity
    616
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    420.08451746g/mol
    Formal Charge
    0
    Heavy Atom Count
    31
    Hydrogen Bond Acceptor Count
    8
    Hydrogen Bond Donor Count
    4
    Isotope Atom Count
    0
    Monoisotopic Mass
    420.08451746g/mol
    Rotatable Bond Count
    6
    Topological Polar Surface Area
    149Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    3.6
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