Pimpinellin
Representations & DB's id
| ||
| ChEBI: | CHEBI:8213 | |
|---|---|---|
| ChEMBL: | CHEMBL1491809 | |
| PubChem: | 4825 | |
| IUPAC: | 5,6-dimethoxyfuro[2,3-h]chromen-2-one | |
| Standard InChI: | InChI=1S/C13H10O5/c1-15-11-7-3-4-9(14)18-10(7)8-5-6-17-12(8)13(11)16-2/h3-6H,1-2H3 | |
| Standard InChI Key: | BQPRWZCEKZLBHL-UHFFFAOYSA-N | |
| SMILES: | COc1c(OC)c2occc2c2c1ccc(=O)o2 | |
Molecular propeties
| ||
| AlogP: | 2.56 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 246.05 | |
| Topological polar surface area: | 57.9 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.154 | |
| Number of carbons: | 13 | |