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CAS 122731-58-2

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3-[[(2,3-Dihydroxypropyl)amino]carbonyl]-5-nitrobenzoic acid

Description:
3-[[(2,3-Dihydroxypropyl)amino]carbonyl]-5-nitrobenzoic acid, identified by its CAS number 122731-58-2, is a chemical compound characterized by its complex structure, which includes a nitro group, a carboxylic acid, and an amino group linked to a dihydroxypropyl moiety. This compound typically exhibits properties associated with both acidic and basic functionalities due to the presence of the carboxylic acid and the amino group, allowing it to participate in various chemical reactions, including hydrogen bonding and potential interactions with biological systems. The nitro group contributes to its electron-withdrawing characteristics, which can influence its reactivity and solubility in different solvents. Additionally, the presence of hydroxyl groups enhances its polarity, making it more soluble in polar solvents. Such compounds may have applications in pharmaceuticals or as intermediates in organic synthesis, where their unique functional groups can be exploited for further chemical transformations. Overall, the compound's structural features suggest potential utility in medicinal chemistry and related fields.
Formula:C11H12N2O7
InChI:InChI=1S/C11H12N2O7/c14-5-9(15)4-12-10(16)6-1-7(11(17)18)3-8(2-6)13(19)20/h1-3,9,14-15H,4-5H2,(H,12,16)(H,17,18)
InChI key:InChIKey=RSVSHBISQDLBEZ-UHFFFAOYSA-N
SMILES:C(NCC(CO)O)(=O)C1=CC(C(O)=O)=CC(N(=O)=O)=C1
Synonyms:
  • 3-[[(2,3-Dihydroxypropyl)amino]carbonyl]-5-nitrobenzoic acid
  • Benzoic acid, 3-[[(2,3-dihydroxypropyl)amino]carbonyl]-5-nitro-
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