chempirical

Ethacrynic acid

C13H12Cl2O4CAS 58-54-8303.13 g/mol

Open in Covalent MOL file
OOOOHClCl
AlkeneAryl halideCarboxylic acidEtherKetone

Properties

Molecular formula
C13H12Cl2O4
Molar mass
303.13 g/mol
Exact mass
302.0113 Da
Melting point
121–122 °C
logP
3.61Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6

Identifiers

CAS number
58-54-8
SMILES
C=C(CC)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl
InChIKey
AVOLMBLBETYQHX-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

27 names · show all
  • 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
  • 2,3-Dichloro-4-(2-ethyl-1-oxo-2-propenyl)-phenoxyacetic acid
  • [2,3-Dichloro-4-(2-methylenebutyryl)phenoxy]acetic acid
  • Edecrin
  • Hydromedin
  • [4-(2-Methylenebutyryl)-2,3-dichlorophenoxy]acetic acid
  • Uregit
  • Etakrinic acid
  • Hidromedin
  • Otacril
  • Reomax
  • Taladren
  • Edecrina
  • Endecril
  • Mingit
  • Etacrynic acid
  • Crinuril
  • Edecril
  • NSC 624008
  • NSC 85791
  • [2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy]acetic acid
  • [[2,3-Dichloro-4-[2-(methylene)butanoyl]phenyl]oxy]acetic acid
  • 2-[2,3-Dichloro-4-(2-methylidenebutanoyl)phenoxy]acetic acid

Work with Ethacrynic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dichlorophenoxyacetic acid2976-74-148 % similar Mcpa94-74-643 % similar 2,4-Dichlorophenoxyacetic acid94-75-742 % similar O-Chlorophenoxyacetic acid614-61-941 % similar 1,2-Phenylenedioxydiacetic acid5411-14-340 % similar Naphthoxyacetic acid2976-75-240 % similar Aminol2008-39-140 % similar 2,4,5-Trichlorophenoxyacetic acid93-76-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook