CAS
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Specification
The molecular formula is C11H12O5.
The molecular weight is 224.21 g/mol.
The IUPAC name is 2-(2-ethoxy-4-formylphenoxy)acetic acid.
The InChI is InChI=1S/C11H12O5/c1-2-15-10-5-8(6-12)3-4-9(10)16-7-11(13)14/h3-6H,2,7H2,1H3,(H,13,14).
The InChIKey is BALVFSVIEQRSSY-UHFFFAOYSA-N.
The canonical SMILES is CCOC1=C(C=CC(=C1)C=O)OCC(=O)O.
The CAS number is 51264-76-7.
The European Community (EC) number is 865-661-7.
The XLogP3-AA value is 1.3.
Yes, the compound is canonicalized.