5-(1H-pyrazol-4-yl)isophthalic acid

Catalog Number	ACM1108726744-2
CAS	1108726-74-4
Synonyms	H3paip
IUPAC Name	5-(1H-pyrazol-4-yl)benzene-1,3-dicarboxylic acid
Molecular Weight	232.19
Molecular Formula	C11H8N2O4
InChI	InChI=1S/C11H8N2O4/c14-10(15)7-1-6(9-4-12-13-5-9)2-8(3-7)11(16)17/h1-5H,(H,12,13)(H,14,15)(H,16,17)
InChI Key	PPAVNVRCVCVWOF-UHFFFAOYSA-N
Purity	97%
Appearance	Yellow powder
Complexity	299
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	232.04840674g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Monoisotopic Mass	232.04840674g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	103Ų