rel-(1R,3S)-3-(3-Methylbenzoyl)cyclohexanecarboxylic acid

CAS Registry Number®

735269-69-9
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CAS Name

rel-(1R,3S)-3-(3-Methylbenzoyl)cyclohexanecarboxylic acid

Molecular Formula

C15H18O3

Molecular Mass

246.30

Cite this Page

rel-(1R,3S)-3-(3-Methylbenzoyl)cyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=735269-69-9 (retrieved 2024-09-04) (CAS RN: 735269-69-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C15H18O3/c1-10-4-2-5-11(8-10)14(16)12-6-3-7-13(9-12)15(17)18/h2,4-5,8,12-13H,3,6-7,9H2,1H3,(H,17,18)/t12-,13+/s2

InChIKey

InChIKey=CRVGWBFUJRSQOX-QWAQRTLVNA-N

SMILES

C(=O)([C@H]1C[C@@H](C(O)=O)CCC1)C2=CC(C)=CC=C2

Canonical SMILES

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

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 3-(3-methylbenzoyl)-, (1R,3S)-rel-
  • rel-(1R,3S)-3-(3-Methylbenzoyl)cyclohexanecarboxylic acid