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CAS 70170-91-1

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4-(2-carboxylatoethyl)benzoate

Description:
4-(2-Carboxylatoethyl)benzoate, with the CAS number 70170-91-1, is an organic compound that features a benzoate structure substituted with a carboxylate group at the 4-position and an ethyl chain containing a carboxylate group at the 2-position. This compound is characterized by its ability to form hydrogen bonds due to the presence of carboxylate functional groups, which can influence its solubility and reactivity. It typically exhibits moderate solubility in polar solvents, such as water, owing to its ionic nature when deprotonated. The presence of multiple functional groups allows for potential applications in various fields, including pharmaceuticals and materials science, where it may act as a ligand in coordination chemistry or as an intermediate in organic synthesis. Additionally, the compound's structural features may contribute to its biological activity, making it of interest in medicinal chemistry. Overall, 4-(2-carboxylatoethyl)benzoate is a versatile compound with properties that can be tailored for specific applications through chemical modifications.
Formula:C10H8O4
InChI:InChI=1/C10H10O4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-2,4-5H,3,6H2,(H,11,12)(H,13,14)/p-2
SMILES:c1cc(ccc1CCC(=O)[O-])C(=O)[O-]
Synonyms:
  • Benzenepropanoic Acid, 4-Carboxy-, Ion(2-)
  • 4-(2-Carboxylatoethyl)benzoate
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