| Phytochemical Name : 3-Phenylpropionate |
| PCNDIDOT0806 |
| Pubchem CID : 4740700 |
| Molecular formula: C9H9O2- |
| Canonical SMILES : C1=CC=C(C=C1)CCC(=O)[O-] |
Synonymes : 3-phenylpropionate|3-phenylpropanoate|3-phenyl propionate|3-Phenylpropionate ion(1-)|BDBM36026|CHEBI:51057|DTXSID501311477|AKOS024438278|A807624|A827992|Q27104780|826-17-5 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.440 |
| Log Po/w (XLOGP3) : 1.840 |
| Log Po/w (WLOGP) : 0.370 |
| Log Po/w (MLOGP) : 1.980 |
| Log Po/w (SILICOS-IT) : 1.880 |
| Consensus Log Po/w : 1.500 |