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CAS 94135-04-3

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Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-α-ethyl-, sodium salt (1:1)

Description:
Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-α-ethyl-, sodium salt (1:1) is a chemical compound characterized by its unique structure, which includes a benzeneacetic acid moiety and an isoindole derivative. This compound typically appears as a white to off-white solid and is soluble in water due to the presence of the sodium salt, which enhances its solubility compared to its acid form. It may exhibit biological activity, potentially serving as a pharmaceutical intermediate or a research chemical. The presence of the isoindole structure suggests possible interactions with biological systems, making it of interest in medicinal chemistry. Its molecular properties, such as melting point, boiling point, and specific reactivity, would depend on the precise conditions and environment in which it is studied. As with many organic compounds, safety data sheets should be consulted for handling and toxicity information, as well as for any regulatory considerations associated with its use.
Formula:C18H17NO3·Na
InChI:InChI=1S/C18H17NO3.Na/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20;/h3-10,15H,2,11H2,1H3,(H,21,22);
InChI key:InChIKey=KMGHLQBLKOJXGY-UHFFFAOYSA-N
SMILES:O=C1N(CC=2C1=CC=CC2)C3=CC=C(C(C(O)=O)CC)C=C3.[Na]
Synonyms:
  • Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-α-ethyl-, sodium salt (1:1)
  • Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-α-ethyl-, sodium salt
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