5-(Pyrimidin-5-yl)isophthalic acid

Catalog Number	ACM1417570150-2
CAS	1417570-15-0
Synonyms	5-(5-Pyrimidinyl)-1,3-benzenedicarboxylic acid
IUPAC Name	5-pyrimidin-5-ylbenzene-1,3-dicarboxylic acid
Molecular Weight	244.20
Molecular Formula	C12H8N2O4
InChI	InChI=1S/C12H8N2O4/c15-11(16)8-1-7(2-9(3-8)12(17)18)10-4-13-6-14-5-10/h1-6H,(H,15,16)(H,17,18)
InChI Key	FIXCBJPJNDNUOF-UHFFFAOYSA-N
Boiling Point	>300 °C
Melting Point	>300 °C
Purity	95%
Appearance	Off-white solid
Complexity	306
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	244.04840674g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Monoisotopic Mass	244.04840674g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	100Ų