4'-[4-(3,4-Dicarboxyphenyl)]-2,2':6',2''-terpyridine-4,4''-dicarboxylic acid

Catalog Number	ACM1510005738
CAS	1510005-73-8
Synonyms	4'-(3,4-Dicarboxyphenyl)[2,2':6',2''-terpyridine]-4,4''-dicarboxylic acid
IUPAC Name	4-[2,6-bis(4-carboxypyridin-2-yl)pyridin-4-yl]phthalic acid
Molecular Weight	485.40
Molecular Formula	C25H15N3O8
InChI	InChI=1S/C25H15N3O8/c29-22(30)13-3-5-26-18(8-13)20-10-15(12-1-2-16(24(33)34)17(7-12)25(35)36)11-21(28-20)19-9-14(23(31)32)4-6-27-19/h1-11H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChI Key	PFIILXSBYYEPLJ-UHFFFAOYSA-N
Complexity	811
Exact Mass	485.08591445 g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	4
Isomeric SMILES	C1=CC(=C(C=C1C2=CC(=NC(=C2)C3=NC=CC(=C3)C(=O)O)C4=NC=CC(=C4)C(=O)O)C(=O)O)C(=O)O
Monoisotopic Mass	485.08591445 g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	188Ų