CAS
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Specification
The molecular formula is C9H9BrO3.
The molecular weight is 245.07 g/mol.
The IUPAC name is 2-(4-bromophenoxy)propanoic acid.
The InChI is InChI=1S/C9H9BrO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12).
The InChIKey is IWXNSVLXICBLHY-UHFFFAOYSA-N.
The canonical SMILES is CC(C(=O)O)OC1=CC=C(C=C1)Br.
The CAS number is 32019-08-2.
The European Community (EC) number is 691-415-1.
Yes, 2-(4-bromophenoxy)propanoic acid is a canonicalized compound.