3-(spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxan]-2'-yl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxan]-2'-yl)-4H-1-benzopyran-4-one
3-(spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxan]-2'-yl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 8018-5533 |
| Compound Name: | 3-(spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxan]-2'-yl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 310.35 |
| Molecular Formula: | C19 H18 O4 |
| Smiles: | C1C2CC3(COC(C4=COc5ccccc5C4=O)OC3)C1C=C2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1802 |
| logD: | 3.1802 |
| logSw: | -3.6682 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.117 |
| InChI Key: | RUCWEYBMCQHPJC-UHFFFAOYSA-N |