5'-methyl-[1,1':3',1''-Terphenyl]-3,3'',5,5''-tetracarboxylic acid

Name: 5'-methyl-[1,1':3',1''-Terphenyl]-3,3'',5,5''-tetracarboxylic acid
SKU: ACM1433189286-1
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Catalog NumberACM1433189286-1

CAS Number1433189-28-6

CategoryCarboxylic acid MOF ligand-tetracarboxylic acid MOF ligand

IUPAC Name

5-[3-(3,5-dicarboxyphenyl)-5-methylphenyl]benzene-1,3-dicarboxylic acid

Molecular Weight

420.4g/mol

Molecular Formula

C23H16O8

InChI

InChI=1S/C23H16O8/c1-11-2-12(14-5-16(20(24)25)9-17(6-14)21(26)27)4-13(3-11)15-7-18(22(28)29)10-19(8-15)23(30)31/h2-10H,1H3,(H,24,25)(H,26,27)(H,28,29)(H,30,31)

InChI Key

OIKMFVSIENQCFU-UHFFFAOYSA-N

Complexity

616

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

420.08451746g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

420.08451746g/mol

Rotatable Bond Count

Topological Polar Surface Area

149Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

3.6

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