2-[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]propanoic acid
Chemical Structure Depiction of
2-[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]propanoic acid
2-[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]propanoic acid
Compound characteristics
| Compound ID: | Y040-6784 |
| Compound Name: | 2-[(8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl)oxy]propanoic acid |
| Molecular Weight: | 308.72 |
| Molecular Formula: | C15 H13 Cl O5 |
| Smiles: | CC(C(O)=O)Oc1cc2c(cc1[Cl])C1CCCC=1C(=O)O2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2251 |
| logD: | -0.7743 |
| logSw: | -3.2228 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.73 |
| InChI Key: | PRXUHYHOJMGTHT-ZETCQYMHSA-N |