Substance Profile

4-Cyano-benzoic acid ethyl ester

  • Molecular Formula: C10H9NO2
  • Element System: C-H-N-O
  • CAS-RN: 7153-22-2
  • InChI: InChI=1S/C10H9NO2/c1-2-13-10(12)9-5-3-8(7-11)4-6-9/h3-6H,2H2,1H3
  • InChI Key: JLSSWDFCYXSLQX-UHFFFAOYSA-N

Chemical Properties + Synthesis

  • Molecular Weight: 175.1869
  • Calculated Log P: 1.848
  • Rotatable Bonds: 5
  • H Acceptors: 2
  • H Donators: 0
  • Reactions having this substance as a reactant: 31
  • Reactions having this substance as a product: 7
  • Journal articles containing this substance: 29
  • Patents containing this substance: 1
  • Other publications containing this substance:
  • Suppliers: Acros, Apexmol, Ark Pharm, Oakwood, Otava, RareChem, Sigma-Aldrich

Data from SPRESIweb

3D Interactive Structure