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CAS 5894-79-1

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Benzeneacetic acid, α-formyl-, methyl ester

Description:
Benzeneacetic acid, α-formyl-, methyl ester, also known by its CAS number 5894-79-1, is an organic compound characterized by its structure, which includes a benzene ring, an acetic acid moiety, and a formyl group attached to the alpha position relative to the carboxylic acid. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and form. It is soluble in organic solvents such as ethanol and ether but has limited solubility in water due to its hydrophobic benzene ring. The presence of both the formyl and ester functional groups allows for various chemical reactivity, making it useful in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. Additionally, it may exhibit biological activity, which can be explored in medicinal chemistry. Safety data should be consulted for handling, as it may pose health risks if inhaled or ingested.
Formula:C10H10O3
InChI:InChI=1S/C10H10O3/c1-13-10(12)9(7-11)8-5-3-2-4-6-8/h2-7,9H,1H3
InChI key:InChIKey=ORJFSDFCHJQCOH-UHFFFAOYSA-N
SMILES:C(C(OC)=O)(C=O)C1=CC=CC=C1
Synonyms:
  • Benzeneacetic acid, 2-formyl-, methyl ester
  • Benzeneacetic acid, alpha-formyl-, methyl ester
  • Benzeneacetic acid, α-formyl-, methyl ester
  • Malonaldehydic acid, phenyl-, methyl ester
  • Methyl 3-Oxo-2-Phenylpropanoate
  • Methyl A-Formylphenylacetate
  • Methyl α-formylbenzeneacetate
  • α-Formylbenzaneacetic acid methyl ester
  • Methyl formylphenylacetate
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