rel-(1R,2S)-5-Oxo-2-(phenylmethyl)cyclohexanecarboxylic acid
CAS Registry Number®
307974-63-6
CAS Name
rel-(1R,2S)-5-Oxo-2-(phenylmethyl)cyclohexanecarboxylic acidMolecular Formula
C14H16O3Molecular Mass
232.27Cite 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 ) (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
