Substance
  • Substance Name: aspirin
  • Formula: C9H8O4
  • Molecular Weight: 180.16 g/mol
  • Identifiers:
    • casrn: 50-78-2
    • pubchemId: 2244
    • iupacname: 2-acetyloxybenzoic acid
    • inchi: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
    • inchikey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N
    • csmiles: CC(=O)OC1=CC=CC=C1C(=O)O
    • ismiles: CC(=O)OC1=CC=CC=C1C(=O)O
    • wikidataId: Q18216
    • chemspiderId: 2157
    • dsstoxcmpId: DTXCID50108
    • chemblId: CHEMBL25
    • ecnumber: 200-064-1
aspirin
Systems and Datasets