5-(3-Chlorophenyl)-1,3-cyclohexanedione

CAS Registry Number®

55579-71-0

CAS Name

5-(3-Chlorophenyl)-1,3-cyclohexanedione

Molecular Formula

C12H11ClO2

Molecular Mass

222.67

Cite this Page

5-(3-Chlorophenyl)-1,3-cyclohexanedione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55579-71-0 (retrieved 2024-11-22) (CAS RN: 55579-71-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H11ClO2/c13-10-3-1-2-8(4-10)9-5-11(14)7-12(15)6-9/h1-4,9H,5-7H2

InChIKey

InChIKey=YSNSALYPQQBIDC-UHFFFAOYSA-N

SMILES

O=C1CC(CC(=O)C1)C2=CC(Cl)=CC=C2

Canonical SMILES

O=C1CC(=O)CC(C=2C=CC=C(Cl)C2)C1

Other Names for this Substance

  • 1,3-Cyclohexanedione, 5-(3-chlorophenyl)-
  • 5-(3-Chlorophenyl)-1,3-cyclohexanedione