3-Fornyl-5-methylphenylboronic acid

• Catalog Number: ACM870777336-1
• Product Name: 3-Fornyl-5-methylphenylboronic acid
• CAS: 870777-33-6
• Category: Boronic Acids
• IUPAC Name: (3-formyl-5-methylphenyl)boronic acid
• Molecular Weight: 163.97g/mol
• Molecular Formula: C8H9BO3
• Canonical SMILES: B(C1=CC(=CC(=C1)C=O)C)(O)O
• InChI: InChI=1S/C8H9BO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-5,11-12H,1H3
• InChI Key: IDXLUNCVVBZUEN-UHFFFAOYSA-N
• Complexity: 160
• Covalently-Bonded Unit Count: 1
• Exact Mass: 164.064474g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 164.064474g/mol
• Rotatable Bond Count: 2