rel-(1R,2S)-2-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid

CAS Registry Number®

733742-69-3
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CAS Name

rel-(1R,2S)-2-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid

Molecular Formula

C16H20O3

Molecular Mass

260.33

Cite this Page

rel-(1R,2S)-2-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=733742-69-3 (retrieved 2024-09-09) (CAS RN: 733742-69-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    159-161 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C16H20O3/c1-10-7-11(2)9-12(8-10)15(17)13-5-3-4-6-14(13)16(18)19/h7-9,13-14H,3-6H2,1-2H3,(H,18,19)/t13-,14+/s2

InChIKey

InChIKey=GCQWXCCUUDOPHV-DUXBJXIBNA-N

SMILES

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

Canonical SMILES

O=C(O)C1CCCCC1C(=O)C=2C=C(C=C(C2)C)C

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 2-(3,5-dimethylbenzoyl)-, (1R,2S)-rel-
  • rel-(1R,2S)-2-(3,5-Dimethylbenzoyl)cyclohexanecarboxylic acid