CAS
937048-76-5 Purity
96%
937048-76-5 Purity
96%
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The molecular formula is C7H8BNO3.
The molecular weight is 164.96 g/mol.
The IUPAC name is [3-[(E)-hydroxyiminomethyl]phenyl]boronic acid.
The InChI is InChI=1S/C7H8BNO3/c10-8(11)7-3-1-2-6(4-7)5-9-12/h1-5,10-12H/b9-5+.
The InChIKey is MAJVYIIPEHMBDV-WEVVVXLNSA-N.
The canonical SMILES is B(C1=CC(=CC=C1)C=NO)(O)O.
It has 3 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.
It has 2 rotatable bond counts.
The topological polar surface area is 73Ų.