EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86559 - 4-acetoxy benzaldehyde

ChEBI IDCHEBI:86559
ChEBI Name4-acetoxy benzaldehyde
Stars
DefinitionAn acetate ester that is phenyl acetate substituted by a formyl group at position 4.
Last Modified12 August 2020
DownloadsMolfile
FormulaC9H8O3
Net Charge0
Average Mass164.160
Monoisotopic Mass164.04734
SMILES[H]C(=O)c1ccc(OC(C)=O)cc1
InChIInChI=1S/C9H8O3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-6H,1H3
InChIKeySEVSMVUOKAMPDO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-acetoxy benzaldehyde (CHEBI:86559) is a benzaldehydes (CHEBI:22698)
4-acetoxy benzaldehyde (CHEBI:86559) is a phenyl acetates (CHEBI:140310)
IUPAC Name 
4-formylphenyl acetate
Synonym  Source
para-acetoxybenzaldehydeChEBI
UniProt Name  Source
4-acetoxybenzaldehydeUniProt
Registry NumbersSources
Reaxys:1101359Reaxys
CAS:878-00-2ChemIDplus