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

• Catalog Number: ACM16209000
• Product Name: 4-(1H-Pyrazol-1-yl)benzoic acid
• CAS: 16209-00-0
• Category: Heterocyclic Organic Compound
• IUPAC Name: 4-pyrazol-1-ylbenzoic acid
• Molecular Weight: 188.18g/mol
• Molecular Formula: C10H8N2O2
• Canonical 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)
• InChI Key: XOEKYPIBVOGCDG-UHFFFAOYSA-N
• Complexity: 212
• Covalently-Bonded Unit Count: 1
• Exact Mass: 188.058578g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 14
• Monoisotopic Mass: 188.058578g/mol
• Rotatable Bond Count: 2
• XLogP3: 1.7