90793-58-1 Purity
96%
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Specification
The molecular formula of (4-Iodophenoxy)acetic acid ethyl ester is C10H11IO3.
It was created on February 16, 2009, and last modified on December 30, 2023.
The IUPAC name is ethyl 2-(4-iodophenoxy)acetate.
The InChI is InChI=1S/C10H11IO3/c1-2-13-10(12)7-14-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3.
The InChIKey is LSDOOFJZRXYLSK-UHFFFAOYSA-N.
The Canonical SMILES is CCOC(=O)COC1=CC=C(C=C1)I.
The molecular weight is 306.10 g/mol.
It has 3 hydrogen bond acceptor counts.
The topological polar surface area is 35.5 Ų.
Yes, the compound is canonicalized in PubChem.