| Phytochemical Name : Allyl benzoate |
| PCNDIDA0062 |
| Pubchem CID : 11406 |
| Molecular formula: C10H10O2 |
| Canonical SMILES : C=CCOC(=O)C1=CC=CC=C1 |
Synonymes : Allyl benzoate|583-04-0|Benzoic acid, 2-propenyl ester|prop-2-enyl benzoate|Benzoic acid, allyl ester|2-Propenyl benzoate|Benzoic Acid Allyl Ester|prop-2-en-1-yl benzoate|ALLYLBENZOATE|UNII-AQY5543KFE|AQY5543KFE|EINECS 209-494-4|NSC 32639|NSC-32639|NSC 406846|NSC-406846|AI3-07823|MONOALLYL BENZOATE|Allyl Benzoate, >/=98%|SCHEMBL21007|ALLYL BENZOATE [INCI]|ALLYL ALCOHOL, BENZOATE|CHEMBL4078776|DTXSID9073913|SCHEMBL13158942|CHEBI:183024|Benzoic acid, allyl ester (8CI)|NSC32639|MFCD00026104|NSC406846|AKOS006230161|BENZOIC ACID, 2-PROPEN-1-YL ESTER|AM20040777|B2041|CS-0205152|D88886|Q27274068 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.400 |
| Log Po/w (XLOGP3) : 2.390 |
| Log Po/w (WLOGP) : 2.030 |
| Log Po/w (MLOGP) : 2.470 |
| Log Po/w (SILICOS-IT) : 2.370 |
| Consensus Log Po/w : 2.330 |