Phenyl-1,2-Propanedione
Representations & DB's id
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| ChEBI: | CHEBI:63552 | |
|---|---|---|
| ChEMBL: | CHEMBL192258 | |
| PubChem: | 11363 | |
| IUPAC: | 1-phenylpropane-1,2-dione | |
| Standard InChI: | InChI=1S/C9H8O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-6H,1H3 | |
| Standard InChI Key: | BVQVLAIMHVDZEL-UHFFFAOYSA-N | |
| SMILES: | O=C(c1ccccc1)C(=O)C | |
Molecular propeties
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| AlogP: | 1.46 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 1 | |
| Molecular Weight: | 148.05 | |
| Topological polar surface area: | 34.1 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.111 | |
| Number of carbons: | 9 | |