CAS 118996-38-6 4,4',4''-Nitrilotribenzoic acid

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4,4',4''-Nitrilotribenzoic acid

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Catalog Number

ACM118996386-3

CAS Number

118996-38-6

Product Name

4,4',4''-Nitrilotribenzoic acid

Structure

Category

Carboxylic acid MOF ligand-tricarboxylic acid MOF ligand

Synonyms

H3TCA

IUPAC Name

4-(4-carboxy-N-(4-carboxyphenyl)anilino)benzoic acid

Molecular Weight

377.35

Molecular Formula

C21H15NO6

InChI

InChI=1S/C21H15NO6/c23-19(24)13-1-7-16(8-2-13)22(17-9-3-14(4-10-17)20(25)26)18-11-5-15(6-12-18)21(27)28/h1-12H,(H,23,24)(H,25,26)(H,27,28)

InChI Key

VEBUOOBGPZWCFE-UHFFFAOYSA-N

Purity

98%

Appearance

Yellow solid

Complexity

489

Compound Is Canonicalized

Yes

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

377.08993720g/mol

Formal Charge

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Monoisotopic Mass

377.08993720g/mol

Rotatable Bond Count

Topological Polar Surface Area

115Å²

Undefined Atom Stereocenter Count

Undefined Bond Stereocenter Count

XLogP3

3.7

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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