Ethyl α-acetyl-β-oxobenzenepropanoate

CAS Registry Number®

569-37-9

CAS Name

Ethyl α-acetyl-β-oxobenzenepropanoate

Molecular Formula

C13H14O4

Molecular Mass

234.25

Cite this Page

Ethyl α-acetyl-β-oxobenzenepropanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=569-37-9 (retrieved 2024-11-22) (CAS RN: 569-37-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    160-170 °C @ Press: 10 Torr

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H14O4/c1-3-17-13(16)11(9(2)14)12(15)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3

InChIKey

InChIKey=CMJWTVYVMCEPGG-UHFFFAOYSA-N

SMILES

C(C(=O)C1=CC=CC=C1)(C(OCC)=O)C(C)=O

Canonical SMILES

O=C(OCC)C(C(=O)C=1C=CC=CC1)C(=O)C

Other Names for this Substance

  • Benzenepropanoic acid, α-acetyl-β-oxo-, ethyl ester
  • Acetoacetic acid, 2-benzoyl-, ethyl ester
  • Ethyl α-acetyl-β-oxobenzenepropanoate
  • Ethyl 2-benzoylacetoacetate
  • 3-Ethoxycarbonyl-4-phenyl-2,4-butanedione

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Deleted or Replaced CAS Registry Numbers

113858-94-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration