4,4',4''-(1H-imidazole-2,4,5-triyl)tribenzoic acid

Catalog Number	ACM2329408060-2
CAS	2329408-06-0
Synonyms	H3ITTC
IUPAC Name	4-[2,4-bis(4-carboxyphenyl)-1H-imidazol-5-yl]benzoic acid
Molecular Weight	428.39
Molecular Formula	C24H16N2O6
InChI	InChI=1S/C24H16N2O6/c27-22(28)16-7-1-13(2-8-16)19-20(14-3-9-17(10-4-14)23(29)30)26-21(25-19)15-5-11-18(12-6-15)24(31)32/h1-12H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChI Key	BNXLCYIDQOYKLW-UHFFFAOYSA-N
Purity	95%
Appearance	Pale yellow solid
Complexity	691
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	428.10083623g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Monoisotopic Mass	428.10083623g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	141Ų