Cas no 91192-30-2 (4-Pyridinecarboxylic acid, 3-cyano-, ethyl ester)

4-Pyridinecarboxylic acid, 3-cyano-, ethyl ester structure
91192-30-2 structure
Product Name:4-Pyridinecarboxylic acid, 3-cyano-, ethyl ester
CAS No:91192-30-2
MF:C9H8N2O2
MW:176.172021865845
CID:787982
PubChem ID:13481492
Update Time:2025-04-19

4-Pyridinecarboxylic acid, 3-cyano-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Pyridinecarboxylic acid, 3-cyano-, ethyl ester
    • ethyl 3-cyanopyridine-4-carboxylate
    • ethyl3-cyanoisonicotinate
    • DTXSID20541864
    • ethyl 3-cyanoisonicotinate
    • 91192-30-2
    • Inchi: 1S/C9H8N2O2/c1-2-13-9(12)8-3-4-11-6-7(8)5-10/h3-4,6H,2H2,1H3
    • InChI Key: LZZAUGCXMMGUQE-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CN=CC=1C#N)=O)CC

Computed Properties

  • Exact Mass: 176.058577502g/mol
  • Monoisotopic Mass: 176.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 231
  • 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: 0.8
  • Topological Polar Surface Area: 63?2

4-Pyridinecarboxylic acid, 3-cyano-, ethyl ester Pricemore >>

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