8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl 2-methylbut-2-enoate
Chemical Structure Depiction of
8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl 2-methylbut-2-enoate
8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl 2-methylbut-2-enoate
Compound characteristics
| Compound ID: | N034-0002 |
| Compound Name: | 8,8-dimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl 2-methylbut-2-enoate |
| Molecular Weight: | 328.36 |
| Molecular Formula: | C19 H20 O5 |
| Smiles: | [H]C(\C)=C(/C)C(=O)OC1Cc2cc3C=CC(=O)Oc3cc2OC1(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4748 |
| logD: | 3.4748 |
| logSw: | -3.6416 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.701 |
| InChI Key: | AGABNGOXUSXQDD-MRXNPFEDSA-N |