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CAS 736136-29-1

:

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

Description:
Rel-(1R,2R)-2-[2-(2-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid, with the CAS number 736136-29-1, is a chiral compound characterized by its cyclohexane ring structure and a carboxylic acid functional group. The presence of the 2-methylphenyl group and the oxoethyl moiety contributes to its unique chemical properties and potential biological activity. This compound is typically studied in the context of medicinal chemistry and drug development due to its structural features that may influence its interaction with biological targets. The stereochemistry indicated by the (1R,2R) configuration suggests specific spatial arrangements that can affect the compound's reactivity and binding affinity. As a carboxylic acid, it is likely to exhibit acidic properties, including the ability to donate protons in solution. Additionally, the presence of multiple functional groups may allow for various chemical reactions, making it a versatile compound in synthetic organic chemistry. Overall, its unique structure and properties make it a subject of interest in various scientific research fields.
Formula:C16H20O3
InChI:InChI=1/C16H20O3/c1-11-6-2-4-8-13(11)15(17)10-12-7-3-5-9-14(12)16(18)19/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3,(H,18,19)/t12-,14-/s2
InChI key:InChIKey=ICLZGZSRHXXNBG-QSKWDSTQNA-N
SMILES:C(C(=O)C1=C(C)C=CC=C1)[C@H]2[C@@H](C(O)=O)CCCC2
Synonyms:
  • Cyclohexanecarboxylic acid, 2-[2-(2-methylphenyl)-2-oxoethyl]-, (1R,2R)-rel-
  • rel-(1R,2R)-2-[2-(2-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid
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