CAS 844856-73-1

rel-(1R,2S)-2-[(2,3-Dihydro-1,4-benzodioxin-6-yl)carbonyl]cyclohexanecarboxylic acid

Description:

The chemical substance known as rel-(1R,2S)-2-[(2,3-Dihydro-1,4-benzodioxin-6-yl)carbonyl]cyclohexanecarboxylic acid, with the CAS number 844856-73-1, is characterized by its unique structural features that include a cyclohexane ring and a benzodioxin moiety. This compound exhibits a carboxylic acid functional group, which contributes to its acidity and potential reactivity in various chemical environments. The stereochemistry indicated by the rel-(1R,2S) designation suggests specific spatial arrangements of atoms, which can influence the compound's biological activity and interactions. The presence of the benzodioxin structure may impart specific pharmacological properties, making it of interest in medicinal chemistry. Additionally, the compound's molecular weight, solubility, and stability can vary based on environmental conditions, affecting its applications in research and industry. Overall, this substance represents a complex organic molecule with potential implications in drug development and chemical synthesis.

Formula: C₁₆H₁₈O₅

InChI: InChI=1/C16H18O5/c17-15(11-3-1-2-4-12(11)16(18)19)10-5-6-13-14(9-10)21-8-7-20-13/h5-6,9,11-12H,1-4,7-8H2,(H,18,19)/t11-,12+/s2

InChI key: InChIKey=HDNBBWIZNGYMBS-WEUYFXHZNA-N

SMILES: C(=O)([C@H]1[C@@H](C(O)=O)CCCC1)C=2C=C3C(=CC2)OCCO3

Synonyms:

• Cyclohexanecarboxylic acid, 2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]-, (1R,2S)-rel-
• rel-(1R,2S)-2-[(2,3-Dihydro-1,4-benzodioxin-6-yl)carbonyl]cyclohexanecarboxylic acid