4-Chloro-γ,ε-dioxobenzenehexanoic acid

CAS Registry Number®

111881-78-8

CAS Name

4-Chloro-γ,ε-dioxobenzenehexanoic acid

Molecular Formula

C12H11ClO4

Molecular Mass

254.67

Cite this Page

4-Chloro-γ,ε-dioxobenzenehexanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=111881-78-8 (retrieved 2024-11-24) (CAS RN: 111881-78-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    144-145 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H11ClO4/c13-9-3-1-8(2-4-9)11(15)7-10(14)5-6-12(16)17/h1-4H,5-7H2,(H,16,17)

InChIKey

InChIKey=PXNQAEKERWTPQO-UHFFFAOYSA-N

SMILES

C(CC(CCC(O)=O)=O)(=O)C1=CC=C(Cl)C=C1

Canonical SMILES

O=C(O)CCC(=O)CC(=O)C1=CC=C(Cl)C=C1

Other Names for this Substance

  • Benzenehexanoic acid, 4-chloro-γ,ε-dioxo-
  • 4-Chloro-γ,ε-dioxobenzenehexanoic acid
  • 6-(4-Chlorophenyl)-4,6-dioxohexanoic acid