HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzoic acid, o-butoxy-, 2-(pyrrolidinyl)ethyl ester
2-(1-Pyrrolidinyl)ethyl=o-butoxybenzoate · Benzoic acid, 2-butoxy-, 2-(1-pyrrolidinyl)ethyl ester

Identifiers & Physical Properties
| CAS No. | 73713-57-2 |
|---|---|
| Molecular formula | C17H25NO3 |
| Average molar mass | 291.4 g/mol |
| Monoisotopic mass | 291.18344366 g/mol |
| SMILES | CCCCOc1ccccc1C(=O)OCCN1CCCC1 |
| InChIKey | KQESKWPZXUYZEE-UHFFFAOYSA-N |
| PubChem CID | 52257 |
| DTXSID | DTXSID70224014 |
Chemical & Physical Properties
| XLogP | 3.5 |
|---|---|
| Topological polar surface area | 38.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 9 |
| Heavy atoms | 21 |
| Formal charge | 0 |
| Complexity | 302 |