Cas no 141605-22-3 (1-Ethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid)

1-Ethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid structure
141605-22-3 structure
Product Name:1-Ethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CAS No:141605-22-3
MF:C8H9NO3
MW:167.161962270737
CID:2774301
Update Time:2023-08-07

1-Ethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1-Ethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
    • 1-ETHYL-2-OXOPYRIDINE-3-CARBOXYLIC ACID
    • 3-Pyridinecarboxylic acid, 1-ethyl-1,2-dihydro-2-oxo-
    • SB54695
    • Inchi: 1S/C8H9NO3/c1-2-9-5-3-4-6(7(9)10)8(11)12/h3-5H,2H2,1H3,(H,11,12)
    • InChI Key: UENKXQVSDZHOQI-UHFFFAOYSA-N
    • SMILES: O=C1C(C(=O)O)=CC=CN1CC

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 278
  • XLogP3: 1
  • Topological Polar Surface Area: 57.6

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