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Home> Hot Product Listed T   > T6541731
400074-58-0 structure

T6541731

Iupac Name:3-pyridin-3-yloxybutan-2-one
CAS No.:400074-58-0
Molecular Weight:165.192
Molecular Formula:C15H28N2O (isomer)
Names and Identifiers
Synonyms

1-(oxolane-2-carbonyl)-4-[(2-phenyl-2h-1,2,3-triazol-4-yl)methyl]piperazine MCULE-9857964275 MOLPORT-009-552-421 Z432823378

Inchi
InChI=1S/C9H11NO2/c1-7(11)8(2)12-9-4-3-5-10-6-9/h3-6,8H,1-2H3
InChkey
ZTYZQGCDFOBQTO-UHFFFAOYSA-N
Canonical Smiles
CC(C(=O)C)OC1=CN=CC=C1
Computational chemical data
  • Molecular Weight:165.192g/mol
  • Molecular Formula:C15H28N2O
  • Compound Is Canonicalized:True
  • Exact Mass:165.079
  • Monoisotopic Mass:165.079
  • Complexity:159
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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