vanillin

• vanillin
• bmse000343 - data
• bmse000597 - data
• bmse010006 - data

InCHi String:
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3

canonical and isomeric SMILES:
COC1=C(C=CC(=C1)C=O)O


PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
4-hydroxy-3-methoxybenzaldehyde

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
4-hydroxy-3-methoxy-benzaldehyde



PubChem Substance (SID):   111677740   10505673   7853382
PubChem Compound (CID):   1183
KEGG: Compound ID   D00091
CAS Registry IDs:   52447-63-9   121-33-5   8014-42-4
PDB Chemical Component   V55
Miscellaneous Databases and IDs:   Sigma-Aldrich V2375_SIGMA   ChEBI CHEBI:18346   ChemBank NCI60_001085   HSDB 1027   ChemIDplus 000121335   ChemSpider 13876438   EINECS 204-465-2   CCRIS 2687   NMRShiftDB 10008648   CambridgeSoft Corporation 10084   EPA DSSTox 1969   ZINC ZINC02567933   UM-BBD c0193   Beilstein Handbook Reference 4-08-00-01763   ChemDB 3969613   NCGC NCGC00091645-01   FEMA No. 3107   NIST Chemistry WebBook 1410779504