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Home> Encyclopedia > Hot Product Listed 6   > 6-Oxa-3-azabicyclo[3.2.2]nonane,5,7,7-trimethyl-
519141-09-4 structure

6-Oxa-3-azabicyclo[3.2.2]nonane,5,7,7-trimethyl-

Iupac Name:2-methyl-3,6,9,9a-tetrahydropyrido[1,2-a]pyrazine-1,4-dione
CAS No.:519141-09-4
Molecular Weight:180.207
Molecular Formula:C20H32O4 (isomer)
Names and Identifiers
Synonyms

5,7,7-tm-6-oabn 5,7,7-trimethyl-6-oxa-3-azabicyclo(3.2.2)nonane 5,7,7-trimethyl-6-oxa-3-azabicyclo[3.2.2]nonane 6-oxa-3-azabicyclo(3.2.2)nonane, 5,7,7-trimethyl- AC1L59XC CTK5D9674 HE148259

Inchi
InChI=1S/C9H12N2O2/c1-10-6-8(12)11-5-3-2-4-7(11)9(10)13/h2-3,7H,4-6H2,1H3
InChkey
RMZSLERHFAWFSZ-UHFFFAOYSA-N
Canonical Smiles
CN1CC(=O)N2CC=CCC2C1=O
Properties
Boiling Point
347.6 °C at 760 mmHg
Flash Point
349.1°C
Computational chemical data
  • Molecular Weight:180.207g/mol
  • Molecular Formula:C20H32O4
  • Compound Is Canonicalized:True
  • Exact Mass:180.09
  • Monoisotopic Mass:180.09
  • Complexity:285
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:40.6A^2
  • Heavy Atom Count:13
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAsQAAAAAAAAACAAAAAHgAAAAAACCjBgAQCAAMAAACI ACFSEACAAAAgAAAICAGIAAgAQBAAgSAUAAAAhgCIAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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