rel-(1R,2R)-2-(2,3-Dimethylbenzoyl)cyclohexanecarboxylic acid

CAS Registry Number®

733742-80-8
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CAS Name

rel-(1R,2R)-2-(2,3-Dimethylbenzoyl)cyclohexanecarboxylic acid

Molecular Formula

C16H20O3

Molecular Mass

260.33

Cite this Page

rel-(1R,2R)-2-(2,3-Dimethylbenzoyl)cyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=733742-80-8 (retrieved 2024-06-21) (CAS RN: 733742-80-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C16H20O3/c1-10-6-5-9-12(11(10)2)15(17)13-7-3-4-8-14(13)16(18)19/h5-6,9,13-14H,3-4,7-8H2,1-2H3,(H,18,19)/t13-,14-/s2

InChIKey

InChIKey=KXDFPUOTMLTPRU-ZCWZLOQUNA-N

SMILES

C(=O)([C@H]1[C@H](C(O)=O)CCCC1)C2=C(C)C(C)=CC=C2

Canonical SMILES

O=C(O)C1CCCCC1C(=O)C2=CC=CC(=C2C)C

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 2-(2,3-dimethylbenzoyl)-, (1R,2R)-rel-
  • rel-(1R,2R)-2-(2,3-Dimethylbenzoyl)cyclohexanecarboxylic acid

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