HuagongsheHuagongshe Chemistry Print Report · For research reference only
Xanthene-9-carboxylic acid, 3-quinuclidinyl ester, hydrochloride
3-(9-Xanthenylcarboxy)quinuclidine hydrochloride
Identifiers & Physical Properties
| CAS No. | 29125-63-1 |
|---|---|
| Molecular formula | C21H22ClNO3 |
| Average molar mass | 371.9 g/mol |
| Monoisotopic mass | 371.12882124 g/mol |
| SMILES | Cl.O=C(OC1CN2CCC1CC2)C1c2ccccc2Oc2ccccc21 |
| InChIKey | ZZZIUZYUOQQODJ-UHFFFAOYSA-N |
| PubChem CID | 207081 |
| ChEMBL | CHEMBL1347479 |
| DTXSID | DTXSID20951727 |
Chemical & Physical Properties
| Topological polar surface area | 38.8 |
|---|---|
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 26 |
| Formal charge | 0 |
| Complexity | 479 |