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  • 5, 5'- (9, 10- anthracenediyldi- 2, 1- ethynediyl) bis-isophthalic acid

  • 5, 5'- (9, 10- anthracenediyldi- 2, 1- ethynediyl) bis-isophthalic acid

    Catalog Number
    ACM1337923871
    Product Name
    5, 5'- (9, 10- anthracenediyldi- 2, 1- ethynediyl) bis-isophthalic acid
    CAS
    1337923-87-1
    Category
    Customizable MOF Linkers
    IUPAC Name
    5-[2-[10-[2-(3,5-dicarboxyphenyl)ethynyl]anthracen-9-yl]ethynyl]benzene-1,3-dicarboxylic acid
    Molecular Weight
    554.5
    Molecular Formula
    C34H18O8
    InChI
    InChI=1S/C34H18O8/c35-31(36)21-13-19(14-22(17-21)32(37)38)9-11-29-25-5-1-2-6-26(25)30(28-8-4-3-7-27(28)29)12-10-20-15-23(33(39)40)18-24(16-20)34(41)42/h1-8,13-18H,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
    InChI Key
    SRAGFZDNJDDTLM-UHFFFAOYSA-N
    Purity
    98%
    Complexity
    1050
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    554.10016753g/mol
    Formal Charge
    0
    Heavy Atom Count
    42
    Hydrogen Bond Acceptor Count
    8
    Hydrogen Bond Donor Count
    4
    Isotope Atom Count
    0
    Monoisotopic Mass
    554.10016753g/mol
    Rotatable Bond Count
    8
    Topological Polar Surface Area
    149Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    6.6
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