5-Cyano-2-oxo-5-phenylcyclohexanecarboxylic acid

CAS Registry Number®

2102412-62-2

CAS Name

5-Cyano-2-oxo-5-phenylcyclohexanecarboxylic acid

Molecular Formula

C14H13NO3

Molecular Mass

243.26

Cite this Page

5-Cyano-2-oxo-5-phenylcyclohexanecarboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2102412-62-2 (retrieved 2024-12-04) (CAS RN: 2102412-62-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H13NO3/c15-9-14(10-4-2-1-3-5-10)7-6-12(16)11(8-14)13(17)18/h1-5,11H,6-8H2,(H,17,18)

InChIKey

InChIKey=MNVAICNAWZPSCR-UHFFFAOYSA-N

SMILES

C(#N)C1(CC(C(O)=O)C(=O)CC1)C2=CC=CC=C2

Canonical SMILES

N#CC1(C=2C=CC=CC2)CCC(=O)C(C(=O)O)C1

Other Names for this Substance

  • Cyclohexanecarboxylic acid, 5-cyano-2-oxo-5-phenyl-
  • 5-Cyano-2-oxo-5-phenylcyclohexanecarboxylic acid

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