CAS
52022-77-2 Purity
96%
52022-77-2 Purity
96%
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Specification
The molecular formula is C8H9IO2.
The molecular weight is 264.06 g/mol.
Some synonyms include (3-iodo-4-methoxyphenyl)methanol and SCHEMBL2723044.
The IUPAC name is (3-iodo-4-methoxyphenyl)methanol.
The Canonical SMILES is COC1=C(C=C(C=C1)CO)I.
The InChIKey is KZPCWHSKIBZFFS-UHFFFAOYSA-N.
There are 2 hydrogen bond acceptors.
There are 2 rotatable bond counts.
The topological polar surface area is 29.5Ų.
Yes, the compound is canonicalized.