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CAS 736136-30-4

:

rel-(1R,2R)-2-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:
Rel-(1R,2R)-2-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid, with the CAS number 736136-30-4, is a chiral compound characterized by its cyclohexane ring structure, which is substituted with a carboxylic acid group and a ketone moiety linked to a 3-methylphenyl group. This compound exhibits specific stereochemistry, denoted by the (1R,2R) configuration, indicating the spatial arrangement of its atoms, which can influence its biological activity and interactions. The presence of both a carboxylic acid and a ketone functional group suggests potential reactivity and solubility in polar solvents. Its structural features may contribute to its role in various chemical reactions or applications in medicinal chemistry, particularly in the development of pharmaceuticals. The compound's unique characteristics, including its molecular weight, melting point, and solubility, would be essential for understanding its behavior in different environments and its potential uses in research and industry.
Formula:C16H20O3
InChI:InChI=1/C16H20O3/c1-11-5-4-7-13(9-11)15(17)10-12-6-2-3-8-14(12)16(18)19/h4-5,7,9,12,14H,2-3,6,8,10H2,1H3,(H,18,19)/t12-,14-/s2
InChI key:InChIKey=SHLLBHPKCWIMIB-QSKWDSTQNA-N
SMILES:C(C(=O)C1=CC(C)=CC=C1)[C@H]2[C@@H](C(O)=O)CCCC2
Synonyms:
  • Cyclohexanecarboxylic acid, 2-[2-(3-methylphenyl)-2-oxoethyl]-, (1R,2R)-rel-
  • rel-(1R,2R)-2-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid
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