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

Catalog Number
ACM16209000
Product Name
4-(1H-Pyrazol-1-yl)benzoic acid
Structure
CAS
16209-00-0
Category
Ligands for Functional Metal Complexes
IUPAC Name
4-pyrazol-1-ylbenzoic acid
Molecular Weight
188.18g/mol
Molecular Formula
C10H8N2O2
SMILES
C1=CN(N=C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C10H8N2O2/c13-10(14)8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H,(H,13,14)
InChIKey
XOEKYPIBVOGCDG-UHFFFAOYSA-N
Status
0
Complexity
212
Formal Charge
0
Exact Mass
188.058578g/mol
Monoisotopic Mass
188.058578g/mol
XLogP3
1.7
Covalently-Bonded Unit Count
1
Heavy Atom Count
14
Rotatable Bond Count
2
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