3-(1H-Pyrazol-4-yl)benzoic acid

Catalog Number	ACM1002535218-3
CAS	1002535-21-8
Structure
Synonyms	Benzoicacid,3-(1H-pyrazol-4-yl)-
IUPAC Name	3-(1H-pyrazol-4-yl)benzoic acid
Molecular Weight	188.18
Molecular Formula	C10H8N2O2
InChI	InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14)
InChI Key	BXSUQWZHUHROLP-UHFFFAOYSA-N
Purity	97%
Appearance	Yellow powder
Complexity	220
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	188.058577502g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Monoisotopic Mass	188.058577502g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66Ų