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The molecular formula is C13H15BrO3.
It was created on 2008-02-29 and modified on 2023-12-30.
The IUPAC name is ethyl 5-(3-bromophenyl)-5-oxopentanoate.
The InChI is InChI=1S/C13H15BrO3/c1-2-17-13(16)8-4-7-12(15)10-5-3-6-11(14)9-10/h3,5-6,9H,2,4,7-8H2,1H3.
The InChIKey is FLIAHYCARFMIMB-UHFFFAOYSA-N.
The Canonical SMILES is CCOC(=O)CCCC(=O)C1=CC(=CC=C1)Br.
The molecular weight is 299.16 g/mol.
It has 0 hydrogen bond donor counts.
The XLogP3-AA value is 2.8.
Yes, it is a canonicalized compound in PubChem.
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