Cas no 155394-42-6 (3-Pyridinecarboxylicacid, 1-ethyl-1,2,5,6-tetrahydro-)

3-Pyridinecarboxylicacid, 1-ethyl-1,2,5,6-tetrahydro- structure
155394-42-6 structure
Product Name:3-Pyridinecarboxylicacid, 1-ethyl-1,2,5,6-tetrahydro-
CAS No:155394-42-6
MF:C8H13NO2
MW:155.194322347641
CID:106973
PubChem ID:21266373
Update Time:2025-04-18

3-Pyridinecarboxylicacid, 1-ethyl-1,2,5,6-tetrahydro- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylicacid, 1-ethyl-1,2,5,6-tetrahydro-
    • 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
    • 3-Pyridinecarboxylicacid,1-ethyl-1,2,5,6-tetrahydro-(9CI)
    • 155394-42-6
    • DTXSID60611797
    • 1-Ethyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid
    • SCHEMBL9562561
    • Inchi: 1S/C8H13NO2/c1-2-9-5-3-4-7(6-9)8(10)11/h4H,2-3,5-6H2,1H3,(H,10,11)
    • InChI Key: GGTKPBFOBMPJCT-UHFFFAOYSA-N
    • SMILES: OC(C1=CCCN(CC)C1)=O

Computed Properties

  • Exact Mass: 155.094628657g/mol
  • Monoisotopic Mass: 155.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 187
  • 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: -1.7
  • Topological Polar Surface Area: 40.5?2
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