(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)acetic acid
Chemical Structure Depiction of
(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)acetic acid
(4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)acetic acid
Compound characteristics
| Compound ID: | Y042-0452 |
| Compound Name: | (4,8,8-trimethyl-2-oxo-7,8-dihydro-2H,6H-benzo[1,2-b:5,4-b']dipyran-3-yl)acetic acid |
| Molecular Weight: | 302.33 |
| Molecular Formula: | C17 H18 O5 |
| Smiles: | CC1=C(CC(O)=O)C(=O)Oc2cc3c(CCC(C)(C)O3)cc12 |
| Stereo: | ACHIRAL |
| logP: | 3.0599 |
| logD: | -0.3988 |
| logSw: | -3.0435 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.877 |
| InChI Key: | MPNYGCRESNKBFG-UHFFFAOYSA-N |