2-butanone | SBID = 981 | Compound |
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | 17.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 1.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 65.5 | ||
| Sum Formula: | C4H8O | ||
| M / g/mol: | 72.11 | ||
| Complexity: | 38.0 | ||
| Number of Conformers: | 4.0 |
Identifiers
- Tags:
- Name: 2-butanone
- Preferred Abbreviation: 2-Butanone
- IUPAC Name: butan-2-one
- CAS: 78-93-3
- CID: 6569
- InChiKey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N
- InChi: InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3
- CanoSmiles: CCC(=O)C
- IsoSmiles: CCC(=O)C
