1-Phenylpropan-2-One
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3800510 | |
| PubChem: | 7678 | |
| IUPAC: | 1-phenylpropan-2-one | |
| Standard InChI: | InChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3 | |
| Standard InChI Key: | QCCDLTOVEPVEJK-UHFFFAOYSA-N | |
| SMILES: | CC(=O)Cc1ccccc1 | |
Molecular propeties
| ||
| AlogP: | 1.82 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 134.07 | |
| Topological polar surface area: | 17.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 9 | |