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The molecular formula is C14H17IO3.
The structure was created on 2008-02-29 and modified on 2023-12-30.
The IUPAC name is 8-(2-iodophenyl)-8-oxooctanoic acid.
The InChIKey is LSHDCMSLUHNBHF-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C(C(=C1)C(=O)CCCCCCC(=O)O)I.
The molecular weight is 360.19 g/mol.
The XLogP3-AA value is 3.5.
There is 1 hydrogen bond donor count.
The topological polar surface area is 54.4 Ų.
Yes, the compound is canonicalized.
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