CAS 898790-71-1
:2-Iodo-ε-oxobenzenehexanoic acid
Description:
2-Iodo-ε-oxobenzenehexanoic acid, identified by its CAS number 898790-71-1, is a chemical compound that features a unique structure combining an iodo substituent with a hexanoic acid chain and a benzene ring. This compound is characterized by the presence of an iodine atom, which can influence its reactivity and biological activity. The oxo group (carbonyl) contributes to its potential as a reactive intermediate in various chemical reactions, including nucleophilic additions. The hexanoic acid moiety provides hydrophobic characteristics, which can affect its solubility and interaction with biological membranes. Additionally, the aromatic benzene ring can participate in π-π stacking interactions, making it relevant in medicinal chemistry and material science. Overall, the combination of these functional groups suggests that 2-Iodo-ε-oxobenzenehexanoic acid may exhibit interesting properties for applications in pharmaceuticals, agrochemicals, or as a synthetic intermediate in organic chemistry. Further studies would be necessary to fully elucidate its reactivity and potential applications.
Formula:C12H13IO3
InChI:InChI=1S/C12H13IO3/c13-10-6-2-1-5-9(10)11(14)7-3-4-8-12(15)16/h1-2,5-6H,3-4,7-8H2,(H,15,16)
InChI key:InChIKey=UJVVKJITTRJRDR-UHFFFAOYSA-N
SMILES:C(CCCCC(O)=O)(=O)C1=C(I)C=CC=C1
Synonyms:- Benzenehexanoic acid, 2-iodo-ε-oxo-
- 2-Iodo-ε-oxobenzenehexanoic acid
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