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4,4',4''-Nitrilotribenzoic acid

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
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
377.08993720g/mol
Formal Charge
0
Heavy Atom Count
28
Hydrogen Bond Acceptor Count
7
Hydrogen Bond Donor Count
3
Isotope Atom Count
0
Monoisotopic Mass
377.08993720g/mol
Rotatable Bond Count
6
Topological Polar Surface Area
115Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
3.7
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