Substance
  • Substance Name: vanillin
  • Formula: C8H8O3
  • Molecular Weight: 152.15 g/mol
  • Identifiers:
    • casrn: 121-33-5
    • pubchemId: 1183
    • iupacname: 4-hydroxy-3-methoxybenzaldehyde
    • inchi: InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
    • inchikey: MWOOGOJBHIARFG-UHFFFAOYSA-N
    • csmiles: COC1=C(C=CC(=C1)C=O)O
    • ismiles: COC1=C(C=CC(=C1)C=O)O
    • wikidataId: Q33495
    • chemspiderId: 13860434
    • dsstoxcmpId: DTXCID301969
    • chemblId: CHEMBL13883
    • ecnumber: 204-465-2
vanillin
Systems and Datasets