3-(1-Methylethoxy)-γ-oxobenzenebutanoic acid

CAS Registry Number®

845790-42-3
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CAS Name

3-(1-Methylethoxy)-γ-oxobenzenebutanoic acid

Molecular Formula

C13H16O4

Molecular Mass

236.26

Cite this Page

3-(1-Methylethoxy)-γ-oxobenzenebutanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=845790-42-3 (retrieved 2024-08-19) (CAS RN: 845790-42-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    121-123 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H16O4/c1-9(2)17-11-5-3-4-10(8-11)12(14)6-7-13(15)16/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)

InChIKey

InChIKey=SEQQFJKVUMGWRM-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CCC(=O)C=1C=CC=C(OC(C)C)C1

Other Names for this Substance

  • Benzenebutanoic acid, 3-(1-methylethoxy)-γ-oxo-
  • 3-(1-Methylethoxy)-γ-oxobenzenebutanoic acid