4,4',4''-Nitrilotribenzoic acid

Catalog Number	ACM118996386
CAS	118996-38-6
Structure
Synonyms	H3TCA; H3NTB
IUPAC Name	4-(4-carboxy-N-(4-carboxyphenyl)anilino)benzoic acid
Molecular Weight	377.3469
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	Off-white to light yellow powder
Complexity	489
Covalently-Bonded Unit Count	1
Defined Atom 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
Monoisotopic Mass	377.08993720g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	115Ų