CAS 1094424-70-0

3,4-Dihydro-8-nitro-2H-1,5-benzodioxepin-7-carboxylic acid

Description:

3,4-Dihydro-8-nitro-2H-1,5-benzodioxepin-7-carboxylic acid is a chemical compound characterized by its unique bicyclic structure, which includes a benzodioxepin core. This compound features a nitro group at the 8-position and a carboxylic acid functional group at the 7-position, contributing to its potential reactivity and solubility properties. The presence of the nitro group often imparts distinctive electronic properties, making it of interest in various chemical applications, including medicinal chemistry and materials science. The bicyclic structure can influence the compound's conformational flexibility and steric interactions, which are critical in determining its biological activity and interaction with other molecules. Additionally, the carboxylic acid group can participate in hydrogen bonding and may enhance solubility in polar solvents. Overall, 3,4-Dihydro-8-nitro-2H-1,5-benzodioxepin-7-carboxylic acid is a compound of interest for further research, particularly in the fields of organic synthesis and pharmacology.

Formula: C₁₀H₉NO₆

InChI: InChI=1S/C10H9NO6/c12-10(13)6-4-8-9(5-7(6)11(14)15)17-3-1-2-16-8/h4-5H,1-3H2,(H,12,13)

InChI key: InChIKey=WJJGEOWHQUZVBK-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(N(=O)=O)C=C2C(=C1)OCCCO2

Synonyms:

• 2H-1,5-Benzodioxepin-7-carboxylic acid, 3,4-dihydro-8-nitro-
• 3,4-Dihydro-8-nitro-2H-1,5-benzodioxepin-7-carboxylic acid

8-Nitro-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxylic acid

CAS: 1094424-70-0

Versatile small molecule scaffold

Formula: C₁₀H₉NO₆

Purity: Min. 95%

Molecular weight: 239.18 g/mol

Ref: 3D-UTB42470