Cas no 677762-00-4 (1-Ethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid)

1-Ethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid structure
677762-00-4 structure
Product Name:1-Ethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
CAS No:677762-00-4
MF:C8H9NO3
MW:167.161962270737
MDL:MFCD11119454
CID:1020702
PubChem ID:9989601
Update Time:2024-03-01

1-Ethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarboxylicacid,1-ethyl-1,6-dihydro-6-oxo-(9CI)
    • 1-ethyl-1,6-dihydro-6-oxo-3-Pyridinecarboxylic acid
    • 1-ethyl-6-oxopyridine-3-carboxylic acid
    • 1-Ethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
    • HJLSHTUWUNZCOO-UHFFFAOYSA-N
    • 3-pyridinecarboxylic acid,1-ethyl-1,6-dihydro-6-oxo-
    • 1-Ethyl-2-oxo-1,2-dihydropyridine-5-carboxylic acid
    • 3-Pyridinecarboxylic acid, 1-ethyl-1,6-dihydro-6-oxo-
    • 1-Ethyl-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid
    • MDL: MFCD11119454
    • Inchi: 1S/C8H9NO3/c1-2-9-5-6(8(11)12)3-4-7(9)10/h3-5H,2H2,1H3,(H,11,12)
    • InChI Key: HJLSHTUWUNZCOO-UHFFFAOYSA-N
    • SMILES: O=C1C=CC(C(=O)O)=CN1CC

Computed Properties

  • Exact Mass: 167.058243149g/mol
  • Monoisotopic Mass: 167.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 278
  • 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: 0
  • Topological Polar Surface Area: 57.6

1-Ethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid Pricemore >>

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1-ethyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
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