propyl 3-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
Chemical Structure Depiction of
propyl 3-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
propyl 3-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 4167-0085 |
| Compound Name: | propyl 3-{5-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]furan-2-yl}benzoate |
| Molecular Weight: | 384.38 |
| Molecular Formula: | C21 H20 O7 |
| Smiles: | CCCOC(c1cccc(c1)c1ccc(C=C2C(=O)OC(C)(C)OC2=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5211 |
| logD: | 4.5211 |
| logSw: | -4.5197 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.062 |
| InChI Key: | KOJOQBFCPNRECS-UHFFFAOYSA-N |