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CAS 898767-34-5

:

4-Bromo-2-methyl-ε-oxobenzenehexanoic acid

Description:
4-Bromo-2-methyl-ε-oxobenzenehexanoic acid, identified by its CAS number 898767-34-5, is a chemical compound that features a bromine atom and a methyl group attached to a benzene ring, along with a hexanoic acid chain. This compound is characterized by its unique structure, which includes a carboxylic acid functional group, contributing to its acidic properties. The presence of the bromine atom can influence the compound's reactivity and solubility, while the methyl group may affect its steric hindrance and overall molecular interactions. Typically, compounds of this nature may exhibit biological activity, making them of interest in pharmaceutical and chemical research. Additionally, the presence of both aromatic and aliphatic components in its structure suggests potential applications in organic synthesis and material science. As with many organic compounds, its physical properties, such as melting point, boiling point, and solubility, would depend on the specific conditions and purity of the substance. Safety data should be consulted for handling and usage guidelines.
Formula:C13H15BrO3
InChI:InChI=1S/C13H15BrO3/c1-9-8-10(14)6-7-11(9)12(15)4-2-3-5-13(16)17/h6-8H,2-5H2,1H3,(H,16,17)
InChI key:InChIKey=PAWGPSUTOOCDQN-UHFFFAOYSA-N
SMILES:C(CCCCC(O)=O)(=O)C1=C(C)C=C(Br)C=C1
Synonyms:
  • 4-Bromo-2-methyl-ε-oxobenzenehexanoic acid
  • Benzenehexanoic acid, 4-bromo-2-methyl-ε-oxo-
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