Cas no 78838-03-6 (1(2H)-Pyridineundecanoic acid, 2-oxo-)

1(2H)-Pyridineundecanoic acid, 2-oxo- structure
78838-03-6 structure
Product Name:1(2H)-Pyridineundecanoic acid, 2-oxo-
CAS No:78838-03-6
MF:C16H25NO3
MW:279.374604940414
CID:533786
PubChem ID:71402979
Update Time:2025-04-19

1(2H)-Pyridineundecanoic acid, 2-oxo- Chemical and Physical Properties

Names and Identifiers

    • 1(2H)-Pyridineundecanoic acid, 2-oxo-
    • 11-(2-oxopyridin-1-yl)undecanoic acid
    • 78838-03-6
    • DTXSID60823919
    • 11-(2-Oxopyridin-1(2H)-yl)undecanoic acid
    • Inchi: 1S/C16H25NO3/c18-15-11-8-10-14-17(15)13-9-6-4-2-1-3-5-7-12-16(19)20/h8,10-11,14H,1-7,9,12-13H2,(H,19,20)
    • InChI Key: YLAPXVWPVUVJPU-UHFFFAOYSA-N
    • SMILES: OC(CCCCCCCCCCN1C=CC=CC1=O)=O

Computed Properties

  • Exact Mass: 279.18344366g/mol
  • Monoisotopic Mass: 279.18344366g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 11
  • Complexity: 361
  • 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: 3.7
  • Topological Polar Surface Area: 57.6?2
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