1451392-28-1 Purity
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The molecular formula of 3-(Hydroxymethyl)-5-methylphenylboronic acid is C8H11BO3.
The molecular weight of 3-(Hydroxymethyl)-5-methylphenylboronic acid is 165.98 g/mol.
3-(Hydroxymethyl)-5-methylphenylboronic acid was created on August 8, 2012.
The IUPAC name of the compound is [3-(hydroxymethyl)-5-methylphenyl]boronic acid.
The InChI of 3-(Hydroxymethyl)-5-methylphenylboronic acid is InChI=1S/C8H11BO3/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4,10-12H,5H2,1H3.
The InChIKey of 3-(Hydroxymethyl)-5-methylphenylboronic acid is XAHBYOREXCQDRQ-UHFFFAOYSA-N.
The canonical SMILES of 3-(Hydroxymethyl)-5-methylphenylboronic acid is B(C1=CC(=CC(=C1)CO)C)(O)O.
The CAS number of 3-(Hydroxymethyl)-5-methylphenylboronic acid is 1451391-46-0.
The hydrogen bond donor count of the compound is 3.
Yes, the compound is canonicalized.