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Home> Hot Product Listed T   > T6697187
913373-41-8 structure

T6697187

Iupac Name:(6-ethoxypyridin-2-yl)boronic acid
CAS No.:913373-41-8
Molecular Weight:166.971
Molecular Formula:C16H21N3O3S (isomer)
Names and Identifiers
Synonyms

MCULE-6256913081 MOLPORT-009-040-922 n-[1-(1,5-dimethyl-1h-pyrazol-4-yl)ethyl]-2-(4-methylphenoxy)acetamide Z372631424

Inchi
InChI=1S/C7H10BNO3/c1-2-12-7-5-3-4-6(9-7)8(10)11/h3-5,10-11H,2H2,1H3
InChkey
GKYDQFHHCDAUDA-UHFFFAOYSA-N
Canonical Smiles
B(C1=NC(=CC=C1)OCC)(O)O
Computational chemical data
  • Molecular Weight:166.971g/mol
  • Molecular Formula:C16H21N3O3S
  • Compound Is Canonicalized:True
  • Exact Mass:167.075
  • Monoisotopic Mass:167.075
  • Complexity:134
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:62.6A^2
  • Heavy Atom Count:12
  • 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: AAADccJiMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAoHgAACAAACAChkgIyhJIIFACg ACBiRACCiCAhIiAImCA2bJgMJuLEsZuOOCjkwBHI6AaQEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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