4-Carboxyphenylboronic acid

• Catalog Number: ACM14047291
• Product Name: 4-Carboxyphenylboronic acid
• CAS: 14047-29-1
• Category: Boronic Acids
• Synonyms: Benzeneboronic acid, p-carboxy-
• IUPAC Name: 4-boronobenzoic acid
• Molecular Weight: 165.94
• Molecular Formula: C7H7BO4
• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)O)(O)O
• InChI: InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
• InChI Key: SIAVMDKGVRXFAX-UHFFFAOYSA-N
• Boiling Point: 406.4±47.0 °C
• Melting Point: 220 °C (dec.)(lit.)
• Density: 1.40±0.1 g/ml
• Complexity: 163
• Covalently-Bonded Unit Count: 1
• Exact Mass: 166.043739g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 3
• Heavy Atom Count: 12
• Monoisotopic Mass: 166.043739g/mol
• NSC Number: 221170
• Rotatable Bond Count: 2