phenylacetaldehyde

Chemical Formula:

C₈H₈O

Molecular Weight:

120.151 Daltons

Monoisotopic Mass:

120.0575148789 Daltons

SMILES:

[CH](=O)CC1(=CC=CC=C1)

InChI:

1S/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2

InChIKey:

DTUQWGWMVIHBKE-UHFFFAOYSA-N

Synonyms

2-phenylacetaldehyde
PAA
α-tolualdehyde
hyacinthin
phenylethanal

Databases

MetaCyc: PHENYLACETALDEHYDE

RefMet: Phenylacetaldehyde

BiGG: pacald

MetaboLights: MTBLC16424

HMDB: HMDB06236

DRUGBANK: DB02178

ChemSpider: 13876539

PubChem (CID): 998

ChEBI: 16424

CAS: 122-78-1

KEGG: C00601

Reactome: 500607

Seed: cpd00464

MetaNetX: MNXM473

PupChem (SID): 3876

CHEMBL: CHEMBL1233464

KNApSAcK: C00007535

PDB-CCD: HY1

3DMET: B00145

NIKKAJI: J2.494E