Dihydrocoumarin
Representations & DB's id
| ||
| ChEBI: | CHEBI:16151 | |
|---|---|---|
| ChEMBL: | CHEMBL89306 | |
| PubChem: | 660 | |
| IUPAC: | 3,4-dihydrochromen-2-one | |
| Standard InChI: | InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2 | |
| Standard InChI Key: | VMUXSMXIQBNMGZ-UHFFFAOYSA-N | |
| SMILES: | O=C1CCc2c(O1)cccc2 | |
Molecular propeties
| ||
| AlogP: | 1.54 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 148.05 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 9 | |