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1,3,5-tris(3',5'-dicarboxy[1,1'-biphenyl]-4-yl)benzene

Catalog Number
ACM1126896147-1
Product Name
1,3,5-tris(3',5'-dicarboxy[1,1'-biphenyl]-4-yl)benzene
CAS
1126896-14-7
Category
Carboxylic acid MOF ligand-polycarboxylic acid MOFs ligand
IUPAC Name
5-[4-[3,5-bis[4-(3,5-dicarboxyphenyl)phenyl]phenyl]phenyl]benzene-1,3-dicarboxylic acid
Molecular Weight
798.7g/mol
Molecular Formula
C48H30O12
InChI
InChI=1S/C48H30O12/c49-43(50)37-16-34(17-38(22-37)44(51)52)28-7-1-25(2-8-28)31-13-32(26-3-9-29(10-4-26)35-18-39(45(53)54)23-40(19-35)46(55)56)15-33(14-31)27-5-11-30(12-6-27)36-20-41(47(57)58)24-42(21-36)48(59)60/h1-24H,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChI Key
GRUCPCKDKJRCJX-UHFFFAOYSA-N
Complexity
1290
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
798.17372639g/mol
Formal Charge
0
Heavy Atom Count
60
Hydrogen Bond Acceptor Count
12
Hydrogen Bond Donor Count
6
Isotope Atom Count
0
Monoisotopic Mass
798.17372639g/mol
Rotatable Bond Count
12
Topological Polar Surface Area
224Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
8.8
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