2-(pyridin-3-yl)-1H-imidazole-4,5-dicarboxylic acid

Catalog Number	ACM1025042447-2
CAS	1025042-44-7
Synonyms	2-(2-Pyridyl)imidazole-4,5-dicarboxylic acid; 4-Carboxy-2-(pyridinium-2-yl)-1H-imidazole-5-carboxylate
IUPAC Name	2-pyridin-2-yl-1H-imidazole-4,5-dicarboxylic acid
Molecular Weight	233.18
Molecular Formula	C10H7N3O4
InChI	InChI=1S/C10H7N3O4/c14-9(15)6-7(10(16)17)13-8(12-6)5-3-1-2-4-11-5/h1-4H,(H,12,13)(H,14,15)(H,16,17)
InChI Key	MXZWGDSFWLUIET-UHFFFAOYSA-N
Purity	97%
Appearance	Off-white solid
Complexity	323
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	233.04365571g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
Monoisotopic Mass	233.04365571g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	116Ų