CAS 100459-00-5

rel-(1R,6S)-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid

Description:

Rel-(1R,6S)-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid, with CAS number 100459-00-5, is a bicyclic organic compound characterized by its unique structural features, including two hydroxyl (-OH) groups and a carboxylic acid (-COOH) functional group. This compound exhibits chirality, with specific stereochemistry at the 1 and 6 positions, which can influence its reactivity and interactions in biological systems. The presence of the hydroxyl groups contributes to its potential solubility in polar solvents and may enhance its ability to form hydrogen bonds. Additionally, the carboxylic acid group can participate in acid-base reactions, making the compound relevant in various chemical and biochemical contexts. Its bicyclic structure may also impart rigidity, affecting its conformational dynamics. Overall, this compound's characteristics suggest potential applications in pharmaceuticals, agrochemicals, or as a biochemical intermediate, although specific applications would depend on further research into its properties and reactivity.

Formula: C₇H₈O₄

InChI: InChI=1/C7H8O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1-5,8,11H,(H,9,10)/t5-,7+/s2

InChI key: InChIKey=PUCYIVFXTPWJDD-QTOHJERDNA-N

SMILES: C(O)(=O)[C@@]1(O)[C@H](O)C=CC=C1

Synonyms:

• 2,4-Cyclohexadiene-1-carboxylic acid, 1,6-dihydroxy-, (1R,6S)-rel-
• 2,4-Cyclohexadiene-1-carboxylic acid, 1,6-dihydroxy-, cis-
• rel-(1R,6S)-1,6-Dihydroxy-2,4-cyclohexadiene-1-carboxylic acid

2,4-Cyclohexadiene-1-carboxylic acid, 1,6-dihydroxy-, (1R,6S)-rel-

CAS: 100459-00-5

Formula: C₇H₈O₄

Molecular weight: 156.136

Ref: IN-DA00021R