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4,4',4''-(Benzene-1,3,5-triyltris(azanediyl))tribenzoicacid

Catalog Number
ACM1258012291-2
Product Name
4,4',4''-(Benzene-1,3,5-triyltris(azanediyl))tribenzoicacid
CAS
1258012-29-1
Category
Carboxylic acid MOF ligand-tricarboxylic acid MOF ligand
Synonyms
4,4',4''-(Benzene-1,3,5-triyltris(azanediyl))tribenzoate)
IUPAC Name
4-[3,5-bis(4-carboxyanilino)anilino]benzoic acid
Molecular Weight
483.47
Molecular Formula
C27H21N3O6
InChI
InChI=1S/C27H21N3O6/c31-25(32)16-1-7-19(8-2-16)28-22-13-23(29-20-9-3-17(4-10-20)26(33)34)15-24(14-22)30-21-11-5-18(6-12-21)27(35)36/h1-15,28-30H,(H,31,32)(H,33,34)(H,35,36)
InChI Key
QPDKZYKUPNCXJF-UHFFFAOYSA-N
Purity
95%
Complexity
643
Compound Is Canonicalized
Yes
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Exact Mass
483.14303540g/mol
Formal Charge
0
Heavy Atom Count
36
Hydrogen Bond Acceptor Count
9
Hydrogen Bond Donor Count
6
Isotope Atom Count
0
Monoisotopic Mass
483.14303540g/mol
Rotatable Bond Count
9
Topological Polar Surface Area
148Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
XLogP3
5.1
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