3,3''-dihydroxy-4''-(methoxycarbonyl)-2',5'-dimethyl-[1,1'4',1''-terphenyl]-4-carboxylic acid

Name: 3,3''-dihydroxy-4''-(methoxycarbonyl)-2',5'-dimethyl-[1,1'4',1''-terphenyl]-4-carboxylic acid
SKU: ACM1382735241
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Catalog NumberACM1382735241

CAS Number1382735-24-1

CategoryCarboxylic acid MOF ligand-dicarboxylic acid MOF ligand

IUPAC Name

4-[4-(4-carboxy-3-hydroxyphenyl)-2,5-dimethylphenyl]-2-hydroxybenzoic acid

Molecular Weight

378.4g/mol

Molecular Formula

C22H18O6

InChI

InChI=1S/C22H18O6/c1-11-7-18(14-4-6-16(22(27)28)20(24)10-14)12(2)8-17(11)13-3-5-15(21(25)26)19(23)9-13/h3-10,23-24H,1-2H3,(H,25,26)(H,27,28)

InChI Key

GZZRIDATCDFPFB-UHFFFAOYSA-N

Complexity

527

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

378.11033829g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

378.11033829g/mol

Rotatable Bond Count

Topological Polar Surface Area

115Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

5.3

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