Acetophenone | SBID = 891 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| 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): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C8H8O | ||
| M / g/mol: | 120.14852 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: Acetophenone
- Preferred Abbreviation: Acetophenone
- IUPAC Name:
- CAS:
- CID: -284
- InChiKey: KWOLFJPFCHCOCG-UHFFFAOYSA-N
- InChi: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
- CanoSmiles: CC(=O)c1ccccc1
- IsoSmiles: CC(=O)C1=CC=CC=C1
