Molecular properties
- Formula
- C9H8O3
- Molar mass
- 164.16 g·mol−1
- Exact mass
- 164.0473 Da
- 6
- PubChem CID
- 97045
Molecule record
3-oxo-3-phenylpropanoic acid
C9H8O3
164.16 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Aromatic ring
Carboxylic acid
Ketone
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 2-carboxyacetophenone
- 3-Keto-3-phenylpropionic acid
- 3-Oxo-3-phenylpropanoicacid
- 3-oxo-3-phenyl-propanoic acid
- 3-oxo-3-phenyl-propionic acid
- 3-oxo-3-phenylpropionic acid
- 614-20-0
- Benzenepropanoic acid, beta-oxo-
Show all 24 synonyms
- Benzoylacetate
- C0Z4E3K13K
- CHEMBL3546292
- DTXCID70132807
- DTXSID70210316
- MFCD03265387
- NSC-97769
- Phenyloxyl acetic acid
- RefChem:916973
- SCHEMBL1719854
- SCHEMBL27603702
- SCHEMBL3268222
- SCHEMBL9478107
- SCHEMBL98540
- UNII-C0Z4E3K13K
- benzoylacetic acid
Structure identifiers
- Canonical SMILES
- O=C(O)CC(=O)c1ccccc1
- Isomeric SMILES
- C1=CC=C(C=C1)C(=O)CC(=O)O
- InChI
- InChI=1S/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
- InChIKey
- HXUIDZOMTRMIOE-UHFFFAOYSA-N
- PubChem CID
- 97045
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 3-oxo-3-phenylpropanoic acid; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 3-oxo-3-phenylpropanoic acid; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.