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The IUPAC name of the compound is 7-(2-iodophenyl)-7-oxoheptanoic acid.
The molecular formula of the compound is C13H15IO3.
The molecular weight of the compound is 346.16 g/mol.
The Canonical SMILES representation of the compound is C1=CC=C(C(=C1)C(=O)CCCCCC(=O)O)I.
The InChIKey of the compound is AUBOBJJZBBICII-UHFFFAOYSA-N.
The compound has 1 hydrogen bond donor count.
The compound has 3 hydrogen bond acceptor counts.
The compound has 7 rotatable bond counts.
The topological polar surface area of the compound is 54.4 Ų.
Yes, the compound is canonicalized.
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