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  • 4,4',4'',4''',4'''',4'''''-(9,10-dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexayl)hexabenzoic acid

  • 4,4',4'',4''',4'''',4'''''-(9,10-dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexayl)hexabenzoic acid

    Catalog Number
    ACM1835723119-1
    CAS Number
    1835723-11-9
    Product Name
    4,4',4'',4''',4'''',4'''''-(9,10-dihydro-9,10-[1,2]benzenoanthracene-2,3,6,7,14,15-hexayl)hexabenzoic acid
    Category
    Carboxylic acid MOF ligand-polycarboxylic acid MOFs ligand
    Synonyms
    H6PET
    IUPAC Name
    4-[5,11,12,17,18-pentakis(4-carboxyphenyl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaenyl]benzoic acid
    Molecular Weight
    974.96
    Molecular Formula
    C62H38O12
    InChI
    InChI=1S/C62H38O12/c63-57(64)37-13-1-31(2-14-37)43-25-49-50(26-44(43)32-3-15-38(16-4-32)58(65)66)56-53-29-47(35-9-21-41(22-10-35)61(71)72)45(33-5-17-39(18-6-33)59(67)68)27-51(53)55(49)52-28-46(34-7-19-40(20-8-34)60(69)70)48(30-54(52)56)36-11-23-42(24-12-36)62(73)74/h1-30,55-56H,(H,63,64)(H,65,66)(H,67,68)(H,69,70)(H,71,72)(H,73,74)
    InChI Key
    PZUNVLJATCTESM-UHFFFAOYSA-N
    Purity
    95%
    Appearance
    White solid
    Complexity
    1670
    Compound Is Canonicalized
    Yes
    Covalently-Bonded Unit Count
    1
    Defined Atom Stereocenter Count
    0
    Defined Bond Stereocenter Count
    0
    Exact Mass
    974.23632664g/mol
    Formal Charge
    0
    Heavy Atom Count
    74
    Hydrogen Bond Acceptor Count
    12
    Hydrogen Bond Donor Count
    6
    Isotope Atom Count
    0
    Monoisotopic Mass
    974.23632664g/mol
    Rotatable Bond Count
    12
    SSA
    700-800 m2/g
    Topological Polar Surface Area
    224Ų
    Undefined Atom Stereocenter Count
    0
    Undefined Bond Stereocenter Count
    0
    XLogP3
    11.7
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