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Specification
The molecular formula is C11H14O3.
The synonyms are 4-Isopropylphenoxyacetic acid, 1643-16-9, 2-(4-isopropylphenoxy)acetic acid, 2-(4-propan-2-ylphenoxy)acetic Acid, and (4-isopropylphenoxy)acetic acid.
The molecular weight is 194.23 g/mol.
The IUPAC name is 2-(4-propan-2-ylphenoxy)acetic acid.
The InChI is InChI=1S/C11H14O3/c1-8(2)9-3-5-10(6-4-9)14-7-11(12)13/h3-6,8H,7H2,1-2H3,(H,12,13).
The InChIKey is FPVCSFOUVDLTDG-UHFFFAOYSA-N.
The canonical SMILES is CC(C)C1=CC=C(C=C1)OCC(=O)O.
The CAS number is 1643-16-9.
The hydrogen bond donor count is 1.
Yes, the compound is canonicalized.