Isobergaptene
Representations & DB's id
| ||
| ChEBI: | CHEBI:81487 | |
|---|---|---|
| ChEMBL: | CHEMBL141690 | |
| PubChem: | 68082 | |
| IUPAC: | 5-methoxyfuro[2,3-h]chromen-2-one | |
| Standard InChI: | InChI=1S/C12H8O4/c1-14-9-6-10-8(4-5-15-10)12-7(9)2-3-11(13)16-12/h2-6H,1H3 | |
| Standard InChI Key: | AJSPSRWWZBBIOR-UHFFFAOYSA-N | |
| SMILES: | COc1cc2occc2c2c1ccc(=O)o2 | |
Molecular propeties
| ||
| AlogP: | 2.55 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 216.04 | |
| Topological polar surface area: | 48.7 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.083 | |
| Number of carbons: | 12 | |