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The molecular formula is C9H9BrO2.
The molecular weight is 229.07 g/mol.
The IUPAC name is 3-(4-bromophenyl)propanoic acid.
The InChI is InChI=1S/C9H9BrO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5H,3,6H2,(H,11,12).
The InChIKey is NCSTWHYWOVZDOC-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC(=CC=C1CCC(=O)O)Br.
The CAS number is 1643-30-7.
The European Community (EC) Number is 629-097-3.
The ChEMBL ID is CHEMBL1829799.
Yes, 3-(4-Bromophenyl)propanoic acid is canonicalized.
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