4,4'-(4-Amino-4H-1,2,4-triazole-3,5-diyl)dibenzoic acid

Catalog Number	ACM1815596327-1
CAS	1815596-32-7
Synonyms	H2atdbc
IUPAC Name	4-[4-amino-5-(4-carboxyphenyl)-1,2,4-triazol-3-yl]benzoic acid
Molecular Weight	324.29
Molecular Formula	C16H12N4O4
InChI	InChI=1S/C16H12N4O4/c17-20-13(9-1-5-11(6-2-9)15(21)22)18-19-14(20)10-3-7-12(8-4-10)16(23)24/h1-8H,17H2,(H,21,22)(H,23,24)
InChI Key	YEGGBYRIRLOQOP-UHFFFAOYSA-N
Purity	98%
Appearance	White powder
Complexity	431
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	324.08585488g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
Monoisotopic Mass	324.08585488g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	131Ų