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The molecular formula is C14H17BrO3.
It was created on February 29, 2008, and last modified on December 30, 2023.
The IUPAC name is ethyl 6-(3-bromophenyl)-6-oxohexanoate.
The InChI is InChI=1S/C14H17BrO3/c1-2-18-14(17)9-4-3-8-13(16)11-6-5-7-12(15)10-11/h5-7,10H,2-4,8-9H2,1H3.
The InChIKey is WBPHALFXTSWKHZ-UHFFFAOYSA-N.
The Canonical SMILES is CCOC(=O)CCCCC(=O)C1=CC(=CC=C1)Br.
The molecular weight is 313.19 g/mol.
It has 3 hydrogen bond acceptors.
The topological polar surface area is 43.4 Ų.
Yes, it is a canonicalized compound.
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