Substance Profile

Benzoic acid, 3-cyano-

  • Molecular Formula: C8H5NO2
  • Element System: C-H-N-O
  • CAS-RN: 1877-72-1
  • InChI: InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)
  • InChI Key: GYLKKXHEIIFTJH-UHFFFAOYSA-N

Chemical Properties + Synthesis

  • Molecular Weight: 147.1333
  • Calculated Log P: 1.280
  • Rotatable Bonds: 3
  • H Acceptors: 3
  • H Donators: 2
  • Reactions having this substance as a reactant: 15
  • Reactions having this substance as a product: 8
  • Journal articles containing this substance: 21
  • Patents containing this substance: 5
  • Other publications containing this substance:
  • Suppliers: ABCR, ASDI, Acros, Alfa Aesar, Apollo Scientific, Ark Pharm, Enamine, Indofine, Otava, RareChem, Sigma-Aldrich, VWR

Data from SPRESIweb

3D Interactive Structure