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Home> Encyclopedia > Hot Product Listed E   > ethyl 3-oxo-3-(pyridin-2-yl)propanoate hydrochloride
90922-53-5 structure

ethyl 3-oxo-3-(pyridin-2-yl)propanoate hydrochloride

Iupac Name:ethyl 3-oxo-3-pyridin-2-ylpropanoate;hydrochloride
CAS No.:90922-53-5
Molecular Weight:229.66
Molecular Formula:C10H12ClNO3 (isomer)
Names and Identifiers
Synonyms

3-oxo-3-[2]pyridyl-propionic acid ethyl ester, hydrochloride AC1Q39XE CTK6F8230 EN300-56210

Inchi
InChI=1S/C10H11NO3.ClH/c1-2-14-10(13)7-9(12)8-5-3-4-6-11-8;/h3-6H,2,7H2,1H3;1H
InChkey
WYFAJLUERDRUGE-UHFFFAOYSA-N
Canonical Smiles
CCOC(=O)CC(=O)C1=CC=CC=N1.Cl
Computational chemical data
  • Molecular Weight:229.66g/mol
  • Molecular Formula:C10H12ClNO3
  • Compound Is Canonicalized:True
  • Exact Mass:229.051
  • Monoisotopic Mass:229.051
  • Complexity:215
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:56.3A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByMAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAAAAAACAzhlgY+iJIIFACo AbT3TACCgCA3AiAI2CG4ZNgIIPbIlbGGIQhkoADIyYe8yKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
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