Molecular properties
- Formula
- C3H5O
- Molar mass
- 57.07 g·mol−1
- Exact mass
- 57.0346 Da
- Formal charge
- −
- 1.5
- PubChem CID
- 12441264
Molecule record
propan-1-one
C3H5O
57.07 g/mol
Charge −
Loading structure
Functional groups
Alkane / alkyl carbon
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
No synonyms are recorded for this molecule.
Structure identifiers
- Canonical SMILES
- CC[C-]=O
- Isomeric SMILES
- CC[C-]=O
- InChI
- InChI=1S/C3H5O/c1-2-3-4/h2H2,1H3/q-1
- InChIKey
- YVBDEMAELTUEQK-UHFFFAOYSA-N
- PubChem CID
- 12441264
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 propan-1-one; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for propan-1-one; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.