Cas no 164366-29-4 (Ethyl 6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxylate)

Ethyl 6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxylate structure
164366-29-4 structure
Product Name:Ethyl 6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxylate
CAS No:164366-29-4
MF:C12H15NO3
MW:221.252403497696
CID:1084039
PubChem ID:15420998
Update Time:2025-04-20

Ethyl 6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxylate
    • ethyl 4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
    • 4-OXO-6,7,8,9-TETRAHYDRO-4H-QUINOLIZINE-1-CARBOXYLIC ACID ETHYL ESTER
    • 2H-Quinolizine-9-carboxylic acid, 1,3,4,6-tetrahydro-6-oxo-, ethyl ester
    • DTXSID20572618
    • DB-253246
    • Ethyl 6-oxo-1,3,4,6-tetrahydro-2H-quinolizine-9-carboxylate
    • 164366-29-4
    • Inchi: 1S/C12H15NO3/c1-2-16-12(15)9-6-7-11(14)13-8-4-3-5-10(9)13/h6-7H,2-5,8H2,1H3
    • InChI Key: YSWCFUKNMUTDBN-UHFFFAOYSA-N
    • SMILES: O=C1C=CC(C(=O)OCC)=C2CCCCN21

Computed Properties

  • Exact Mass: 221.10519334g/mol
  • Monoisotopic Mass: 221.10519334g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 382
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 46.6?2
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