45172-15-4 Purity
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Specification
The molecular formula is C15H21BO4.
The molecular weight is 276.14 g/mol.
The IUPAC name is methyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate.
The InChI Key is NBPODFADVLNXKO-UHFFFAOYSA-N.
The Canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CC(=O)OC.
The CAS number is 454185-98-9.
It has 0 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.
The topological polar surface area is 44.8 Ų.
Yes, the compound is canonicalized.