Pentane-2,4-Dione
Representations & DB's id
| ||
| ChEBI: | CHEBI:14750 | |
|---|---|---|
| ChEMBL: | CHEMBL191625 | |
| PubChem: | 31261 | |
| IUPAC: | pentane-2,4-dione | |
| Standard InChI: | InChI=1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3 | |
| Standard InChI Key: | YRKCREAYFQTBPV-UHFFFAOYSA-N | |
| SMILES: | CC(=O)CC(=O)C | |
Molecular propeties
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| AlogP: | 0.55 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 0 | |
| Molecular Weight: | 100.05 | |
| Topological polar surface area: | 34.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.6 | |
| Number of carbons: | 5 | |