4-Chloro-α-(4-ethylphenyl)-γ-oxobenzenebutanoic acid

CAS Registry Number®

70596-91-7
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CAS Name

4-Chloro-α-(4-ethylphenyl)-γ-oxobenzenebutanoic acid

Molecular Formula

C18H17ClO3

Molecular Mass

316.78

Cite this Page

4-Chloro-α-(4-ethylphenyl)-γ-oxobenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=70596-91-7 (retrieved 2024-07-05) (CAS RN: 70596-91-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    128-129 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C18H17ClO3/c1-2-12-3-5-13(6-4-12)16(18(21)22)11-17(20)14-7-9-15(19)10-8-14/h3-10,16H,2,11H2,1H3,(H,21,22)

InChIKey

InChIKey=DGRWWEGVDYDLAO-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Benzenebutanoic acid, 4-chloro-α-(4-ethylphenyl)-γ-oxo-
  • 4-Chloro-α-(4-ethylphenyl)-γ-oxobenzenebutanoic acid