rel-(1R,2S)-5-Oxo-2-(phenylmethyl)cyclohexanecarboxylic acid

CAS Registry Number®

307974-63-6
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CAS Name

rel-(1R,2S)-5-Oxo-2-(phenylmethyl)cyclohexanecarboxylic acid

Molecular Formula

C14H16O3

Molecular Mass

232.27

Cite this Page

rel-(1R,2S)-5-Oxo-2-(phenylmethyl)cyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=307974-63-6 (retrieved 2024-08-22) (CAS RN: 307974-63-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    110 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C14H16O3/c15-12-7-6-11(13(9-12)14(16)17)8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,16,17)/t11-,13+/s2

InChIKey

InChIKey=RPYASTUWLRHTAX-VEZULTJBNA-N

SMILES

C([C@@H]1[C@@H](C(O)=O)CC(=O)CC1)C2=CC=CC=C2

Canonical SMILES

O=C(O)C1CC(=O)CCC1CC=2C=CC=CC2

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 5-oxo-2-(phenylmethyl)-, (1R,2S)-rel-
  • Cyclohexanecarboxylic acid, 2-benzyl-5-oxo-, trans-
  • rel-(1R,2S)-5-Oxo-2-(phenylmethyl)cyclohexanecarboxylic acid

Deleted or Replaced CAS Registry Numbers

1195238-34-6