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CAS 53544-13-1

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Propanoic acid, 3-cyano-2-oxo-, ethyl ester, ion(1-), sodium (1:1)

Description:
Propanoic acid, 3-cyano-2-oxo-, ethyl ester, ion(1-), sodium (1:1) is a chemical compound characterized by its structure, which includes a propanoic acid backbone with a cyano group and a keto group, along with an ethyl ester functional group. This compound is typically a sodium salt, indicating that it is ionized in solution, which enhances its solubility in polar solvents. It exhibits properties typical of carboxylic acids and esters, such as acidity and the ability to participate in esterification reactions. The presence of the cyano group contributes to its reactivity, making it a potential candidate for various synthetic applications in organic chemistry. Additionally, the compound may display biological activity, which could be of interest in pharmaceutical research. Its molecular interactions are influenced by the functional groups present, allowing for diverse applications in chemical synthesis and potentially in agrochemical formulations. As with many chemical substances, safety data and handling precautions should be considered when working with this compound.
Formula:C6H6NO3·Na
InChI:InChI=1S/C6H6NO3.Na/c1-2-10-6(9)5(8)3-4-7;/h3H,2H2,1H3;/q-1;+1
InChI key:InChIKey=OFVBNFHLHRQPLC-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)([CH-]C#N)=O.[Na+]
Synonyms:
  • 1-Cyano-3-ethoxy-3-oxo-1-propen-2-ol sodium salt
  • 3-Cyano-2-Oxo-Propanoic Acid Ethyl Ester
  • 3-Cyanopyroracemic acid ethyl ester sodium salt
  • Ethyl β-cyanopyruvate sodium salt
  • Propanoic acid, 3-cyano-2-oxo-, ethyl ester, ion(1-), sodium (1:1)
  • Pyruvic acid, cyano-, ethyl ester, sodium deriv.
  • Propanoic acid, 3-cyano-2-oxo-, ethyl ester, ion(1-), sodium
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