3,4-Methylenedioxyphenylboronic acid

• Catalog Number: ACM94839073
• Product Name: 3,4-Methylenedioxyphenylboronic acid
• CAS: 94839-07-3
• Category: Heterocyclic Organic Compound
• Synonyms: BENZO[D][1,3]DIOXOL-5-YLBORONIC ACID;3,4-METHYLENEDIOXYBENZENEBORONIC ACID;3,4-METHYLENEDIOXYPHENYLBORONIC ACID;1,3-BENZODIOXOL-5-YLBORONIC ACID;RARECHEM AH PB 0145;TIMTEC-BB SBB003898;1,3-Benzodioxole-5-boronic acid;3,4-Methylenedioxyphenylboroni
• IUPAC Name: 1,3-benzodioxol-5-ylboronic acid
• Molecular Weight: 165.94g/mol
• Molecular Formula: C7H7BO4
• Canonical SMILES: B(C1=CC2=C(C=C1)OCO2)(O)O
• InChI: InChI=1S/C7H7BO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3,9-10H,4H2
• InChI Key: CMHPUBKZZPSUIQ-UHFFFAOYSA-N
• Complexity: 164
• Covalently-Bonded Unit Count: 1
• Exact Mass: 166.043739g/mol
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 12
• Monoisotopic Mass: 166.043739g/mol
• Rotatable Bond Count: 1