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Ethacrynic acid

CAS Registry Number®

58-54-8

CAS Name

Ethacrynic acid

Molecular Formula

C13H12Cl2O4

Molecular Mass

303.14

Cite this Page

Ethacrynic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58-54-8 (retrieved 2024-12-28) (CAS RN: 58-54-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    121-122 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)

InChIKey

InChIKey=AVOLMBLBETYQHX-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)COC1=CC=C(C(=O)C(=C)CC)C(Cl)=C1Cl

Other Names for this Substance

  • Acetic acid, 2-[2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-
  • Acetic acid, [2,3-dichloro-4-(2-methylenebutyryl)phenoxy]-
  • Acetic acid, [2,3-dichloro-4-(2-methylene-1-oxobutyl)phenoxy]-
  • 2-[2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy]acetic acid
  • MK 595

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Deleted or Replaced CAS Registry Numbers

105656-03-9

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