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

CAS Registry Number®

735275-06-6
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CAS Name

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

Molecular Formula

C16H20O3

Molecular Mass

260.33

Cite this Page

rel-(1R,3S)-3-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=735275-06-6 (retrieved 2024-09-09) (CAS RN: 735275-06-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C16H20O3/c1-11-4-2-6-13(8-11)15(17)10-12-5-3-7-14(9-12)16(18)19/h2,4,6,8,12,14H,3,5,7,9-10H2,1H3,(H,18,19)/t12-,14+/s2

InChIKey

InChIKey=JHRSKEGQMKSWEL-XGJSPVFONA-N

SMILES

C(C(=O)C1=CC(C)=CC=C1)[C@H]2C[C@@H](C(O)=O)CCC2

Canonical SMILES

O=C(O)C1CCCC(CC(=O)C2=CC=CC(=C2)C)C1

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-[2-(3-methylphenyl)-2-oxoethyl]-, (1R,3S)-rel-
  • rel-(1R,3S)-3-[2-(3-Methylphenyl)-2-oxoethyl]cyclohexanecarboxylic acid