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MOFs and COFs Compound

Carboxylic acid MOF ligand-polycarboxylic acid MOFs ligand

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

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

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Catalog Number

ACM1126896147-1

CAS Number

1126896-14-7

Product Name

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

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

224Å²

Undefined Atom Stereocenter Count

0

Undefined Bond Stereocenter Count

0

XLogP3

8.8

MSDS

COA

Spec Sheet

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