Cas no 933696-86-7 (3-Pyridinecarboxylic acid, 1-cyclopentyl-1,6-dihydro-6-oxo-)

3-Pyridinecarboxylic acid, 1-cyclopentyl-1,6-dihydro-6-oxo- structure
933696-86-7 structure
Product Name:3-Pyridinecarboxylic acid, 1-cyclopentyl-1,6-dihydro-6-oxo-
CAS No:933696-86-7
MF:C11H13NO3
MW:207.225823163986
CID:2120629
Update Time:2023-08-04

3-Pyridinecarboxylic acid, 1-cyclopentyl-1,6-dihydro-6-oxo- Chemical and Physical Properties

Names and Identifiers

    • 1-cyclopentyl-1,6-dihydro-6-oxo-3-Pyridinecarboxylic acid
    • 3-Pyridinecarboxylicacid,1-cyclopentyl-1,6-dihydro-6-oxo-
    • 1-cyclopentyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid
    • 3-Pyridinecarboxylic acid, 1-cyclopentyl-1,6-dihydro-6-oxo-
    • Inchi: 1S/C11H13NO3/c13-10-6-5-8(11(14)15)7-12(10)9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15)
    • InChI Key: TYXUBSDWTYEPMH-UHFFFAOYSA-N
    • SMILES: O=C1C=CC(C(=O)O)=CN1C1CCCC1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 351
  • Topological Polar Surface Area: 57.6
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