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MOFs and COFs Compound

Carboxylic acid MOF ligand-polycarboxylic acid MOFs ligand

Hexakis(4- carboxyphenyl) benzene

Hexakis(4- carboxyphenyl) benzene

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Catalog Number

ACM83536167

CAS Number

83536-16-7

Product Name

Hexakis(4- carboxyphenyl) benzene

Category

Carboxylic acid MOF ligand-polycarboxylic acid MOFs ligand

IUPAC Name

4-[2,3,4,5,6-pentakis(4-carboxyphenyl)phenyl]benzoic acid

Molecular Weight

798.7g/mol

Molecular Formula

C48H30O12

InChI

InChI=1S/C48H30O12/c49-43(50)31-13-1-25(2-14-31)37-38(26-3-15-32(16-4-26)44(51)52)40(28-7-19-34(20-8-28)46(55)56)42(30-11-23-36(24-12-30)48(59)60)41(29-9-21-35(22-10-29)47(57)58)39(37)27-5-17-33(18-6-27)45(53)54/h1-24H,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)

InChI Key

LUIFAWBWDOLINT-UHFFFAOYSA-N

Complexity

1220

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

SSA

700-800 m2/g

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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