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CAS 205680-84-8

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Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)

Description:
Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1), identified by CAS number 205680-84-8, is a chemical compound that features a benzoic acid moiety substituted with a formyl-2-oxoethyl group and a nitro group at the 4-position of the aromatic ring. This compound typically exhibits properties characteristic of both benzoic acids and nitro compounds, including potential acidity due to the carboxylic acid functional group and reactivity associated with the nitro group. The presence of the hydrate indicates that it can form a crystalline structure that includes water molecules, which may influence its solubility and stability. In terms of applications, compounds of this nature may be of interest in organic synthesis, pharmaceuticals, or as intermediates in chemical reactions. The specific interactions and reactivity of this compound would depend on its molecular structure and the functional groups present, making it a subject of interest for further study in various chemical contexts.
Formula:C10H7NO6·H2O
InChI:InChI=1S/C10H7NO6.H2O/c12-4-7(5-13)8-3-6(10(14)15)1-2-9(8)11(16)17;/h1-5,7H,(H,14,15);1H2
InChI key:InChIKey=SWNCDLAMOWGSKH-UHFFFAOYSA-N
SMILES:C(C=O)(C=O)C1=C(N(=O)=O)C=CC(C(O)=O)=C1.O
Synonyms:
  • Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, monohydrate
  • Benzoic acid, 3-(1-formyl-2-oxoethyl)-4-nitro-, hydrate (1:1)
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