vanillin

Chemical Formula:

C₈H₈O₃

Molecular Weight:

152.149 Daltons

Monoisotopic Mass:

152.0473441231 Daltons

SMILES:

COC1(C(=CC=C([CH]=O)C=1)O)

InChI:

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

InChIKey:

MWOOGOJBHIARFG-UHFFFAOYSA-N

Synonyms

4-hydroxy-3-methoxybenzaldehyde
Vanillaldehyde

Databases

MetaCyc: VANILLIN

RefMet: Vanillin

MetaboLights: MTBLC18346

HMDB: HMDB12308

ChemSpider: 13860434

PubChem (CID): 1183

ChEBI: 18346

KEGG: C00755

NCI: 403658

CAS: 121-33-5

Seed: cpd00561

MetaNetX: MNXM754

PupChem (SID): 4017

CHEMBL: CHEMBL13883

KNApSAcK: C00002683 C00029531

PDB-CCD: V55

3DMET: B00167

NIKKAJI: J2.923H