915402-09-4 Purity
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Specification
The molecular formula of the compound is C10H13BO5.
The compound was created on 2007-12-04 and last modified on 2023-12-30.
The IUPAC name of the compound is [4-(1,3-dioxolan-2-ylmethoxy)phenyl]boronic acid.
The Canonical SMILES representation of the compound is B(C1=CC=C(C=C1)OCC2OCCO2)(O)O.
The InChI of the compound is InChI=1S/C10H13BO5/c12-11(13)8-1-3-9(4-2-8)16-7-10-14-5-6-15-10/h1-4,10,12-13H,5-7H2.
The InChIKey of the compound is XOLIAYSLUMRSGB-UHFFFAOYSA-N.
The molecular weight of the compound is 224.02 g/mol.
The compound has 2 hydrogen bond donor counts.
The compound has 5 hydrogen bond acceptor counts.
Yes, the compound is canonicalized.