Substance
  • Substance Name: 3-cyanobenzoic acid
  • Formula: C8H5NO2
  • Molecular Weight: 147.13 g/mol
  • Identifiers:
    • inchi: InChI=1S/C8H5NO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4H,(H,10,11)
    • inchikey: GYLKKXHEIIFTJH-UHFFFAOYSA-N
    • casrn: 1877-72-1
    • csmiles: C1=CC(=CC(=C1)C(=O)O)C#N
    • ismiles: C1=CC(=CC(=C1)C(=O)O)C#N
    • pubchemId: 15875
    • iupacname: 3-cyanobenzoic acid
    • wikidataId: Q27276020
    • chemspiderId: 15088
    • dsstoxcmpId: DTXCID1094565
    • chemblId: CHEMBL66210
    • ecnumber: 217-511-1
3-cyanobenzoic acid
Systems and Datasets