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Home> Hot Product Listed 3   > 3-Hydroxy-2-(2,2,2-trimethylacetamido)pyridine
518990-53-9 structure

3-Hydroxy-2-(2,2,2-trimethylacetamido)pyridine

Iupac Name:N-(4-ethoxy-3-ethylphenyl)acetamide
CAS No.:518990-53-9
Molecular Weight:207.273
Molecular Formula:C8H5CLF2O (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C12H17NO2/c1-4-10-8-11(13-9(3)14)6-7-12(10)15-5-2/h6-8H,4-5H2,1-3H3,(H,13,14)
InChkey
NRDIYHIXGDIIDF-UHFFFAOYSA-N
Canonical Smiles
CCC1=C(C=CC(=C1)NC(=O)C)OCC
Properties
Density
1.196
Boiling Point
206℃
Computational chemical data
  • Molecular Weight:207.273g/mol
  • Molecular Formula:C8H5CLF2O
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.5
  • Exact Mass:207.126
  • Monoisotopic Mass:207.126
  • Complexity:206
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38.3A^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:1
  • CACTVS Substructure Key Fingerprint: AAADceByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADAyhmAIyxoLABACI AiVSUACCCAAhIgAIiAAGbIgMJiLEsZuGOCjk1BHI6AewwKAOAEAAQAAIAAAAgACAABAAAAAAAAAA AA==
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