2-[(4-methyl-6-oxo-6,7,8,9,10,11-hexahydrobenzo[b]cyclohepta[d]pyran-3-yl)oxy]propanoic acid
Chemical Structure Depiction of
2-[(4-methyl-6-oxo-6,7,8,9,10,11-hexahydrobenzo[b]cyclohepta[d]pyran-3-yl)oxy]propanoic acid
2-[(4-methyl-6-oxo-6,7,8,9,10,11-hexahydrobenzo[b]cyclohepta[d]pyran-3-yl)oxy]propanoic acid
Compound characteristics
| Compound ID: | D715-1196 |
| Compound Name: | 2-[(4-methyl-6-oxo-6,7,8,9,10,11-hexahydrobenzo[b]cyclohepta[d]pyran-3-yl)oxy]propanoic acid |
| Molecular Weight: | 316.35 |
| Molecular Formula: | C18 H20 O5 |
| Smiles: | CC(C(O)=O)Oc1ccc2C3CCCCCC=3C(=O)Oc2c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0301 |
| logD: | 0.0308 |
| logSw: | -4.1965 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.38 |
| InChI Key: | ZEPUTSVZUGFVPT-NSHDSACASA-N |