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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)
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

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