Acetone | SBID = 447 | Compound |
Structure
Molecular Properties
| Interactions: | 9 | ||
| PubChem TPSA/Å2: | 17.1 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | -0.1 | ||
| 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: | 52.8 | ||
| Sum Formula: | C3H6O | ||
| M / g/mol: | 58.08 | ||
| Complexity: | 26.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: typical guest
- Name: Acetone
- Preferred Abbreviation: Acetone
- IUPAC Name: propan-2-one
- CAS: 67-64-1
- CID: 180
- InChiKey: CSCPPACGZOOCGX-UHFFFAOYSA-N
- InChi: InChI=1S/C3H6O/c1-3(2)4/h1-2H3
- CanoSmiles: CC(=O)C
- IsoSmiles: CC(=O)C
