CAS
2268-05-5 Purity
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2268-05-5 Purity
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Specification
The molecular formula is C9H11IO3.
The molecular weight is 294.09 g/mol.
The IUPAC Name is 5-iodo-1,2,3-trimethoxybenzene.
The Canonical SMILES is COC1=CC(=CC(=C1OC)OC)I.
The InChIKey is IWPMQXOVTMABLF-UHFFFAOYSA-N.
The CAS number is 25245-29-8.
It has 3 hydrogen bond acceptors.
The topological polar surface area is 27.7Ų.
Yes, the compound is canonicalized.
The complexity is 140.