4-Ethoxy-2-methylbenzeneboronic acid

• Catalog Number: ACM313545312
• Product Name: 4-Ethoxy-2-methylbenzeneboronic acid
• CAS: 313545-31-2
• Category: Boronic Acids
• IUPAC Name: (4-ethoxy-2-methylphenyl)boronic acid
• Molecular Weight: 180.01g/mol
• Molecular Formula: C9H13BO3
• Canonical SMILES: B(C1=C(C=C(C=C1)OCC)C)(O)O
• InChI: InChI=1S/C9H13BO3/c1-3-13-8-4-5-9(10(11)12)7(2)6-8/h4-6,11-12H,3H2,1-2H3
• InChI Key: MBEQXBKSJCOKJF-UHFFFAOYSA-N
• Complexity: 152
• Covalently-Bonded Unit Count: 1
• Exact Mass: 180.095774g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 180.095774g/mol
• Rotatable Bond Count: 3