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

Catalog Number	ACM1017794476-3
CAS	1017794-47-6
Synonyms	4-Pyrazol-4-ylbenzoic acid
IUPAC Name	4-(1H-pyrazol-4-yl)benzoic acid
Molecular Weight	188.18
Molecular Formula	C10H8N2O2
Canonical SMILES	C1=CC(=CC=C1C2=CNN=C2)C(=O)O
InChI	InChI=1S/C10H8N2O2/c13-10(14)8-3-1-7(2-4-8)9-5-11-12-6-9/h1-6H,(H,11,12)(H,13,14)
InChI Key	ZGICHEMKLPXWPZ-UHFFFAOYSA-N
Purity	95%
Appearance	White solid
Complexity	212
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