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Molecule record

4-acetylbenzaldehyde

C9H8O2

148.16 g/mol

Loading structure

Molecular properties

Formula
C9H8O2
Molar mass
148.16 g·mol−1
Exact mass
148.0524 Da
6
PubChem CID
5009465

Functional groups

Aldehyde
Alkane / alkyl carbon
Aromatic ring
Ketone

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 3457-45-2
  • 4-Acetylbenzaldehyde, 9
  • 4-Acetylbenzaldehyde, 97%
  • 4-Formylacetophenone
  • 4-acetyl-benzaldehyde
  • AKOS015891025
  • AMY21595
  • AS-57297
Show all 24 synonyms
  • BCP30298
  • Benzaldehyde, 4-acetyl-
  • CL9707
  • CS-W023080
  • DB-048651
  • DTXCID30110606
  • DTXSID00188115
  • EN300-208733
  • F222815
  • FT-0634866
  • J-019654
  • MFCD02093689
  • RefChem:321203
  • SCHEMBL97267
  • SCHEMBL97268
  • SY107435

Structure identifiers

Canonical SMILES
CC(=O)c1ccc(C=O)cc1
Isomeric SMILES
CC(=O)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C9H8O2/c1-7(11)9-4-2-8(6-10)3-5-9/h2-6H,1H3
InChIKey
KTFKRVMXIVSARW-UHFFFAOYSA-N
PubChem CID
5009465

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 4-acetylbenzaldehyde; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 4-acetylbenzaldehyde; not experimental data.

Sources

Molecule identity

Retrieved 8/19/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record