| Phytochemical Name : Phenylpropiolic acid |
| PCNDIDP0087 |
| Pubchem CID : 69475 |
| Molecular formula: C9H6O2 |
| Canonical SMILES : C1=CC=C(C=C1)C#CC(=O)O |
Synonymes : Phenylpropiolic acid|637-44-5|3-Phenylpropiolic acid|3-phenylprop-2-ynoic acid|Phenylpropynoic acid|3-Phenyl-2-propynoic acid|2-Propynoic acid, 3-phenyl-|3-Phenylpropynoic acid|Phenylacetylenecarboxylic acid|Propiolic acid, phenyl-|Phenylacetylene monocarboxylic acid|Propiolic acid, 3-phenyl-|Phenyl propiolic acid|MFCD00004361|beta-phenylpropargylic acid|3-phenyl-propiolic acid|3-Phenylpropargylic acid|NSC 13669|4KE28XZ9GX|Phenylacetylenemonocarboxylic acid|EINECS 211-285-8|NSC-13669|AI3-17875|Phenylpropiolate|phenyl-propiolic acid|Phenylpropargylic Acid|Phenylpropynoate|Phenylpropioplate|phenyl-propiolate|3-Phenylpropiolate|3-Phenylpropynoate|b-phenylpropargylate|JQ8|3-phenyl-propiolate|Phenylpropioplic acid|Phenyl-propynoic acid|beta-phenylpropargylate|4-Phenylpropynoic acid|3-Phenyl-2-propynoate|b-Phenylpropargylic acid|phenyl-(8CI)propiolate|3-phenyl propiolic acid|3-phenyl-propynoic acid|Phenyl-2-propynoic acid|Phenylacetylenecarboxylate|PhenylpropiolsA currencyure|3-phenylprop-2-ynic acid|UNII-4KE28XZ9GX|Phenylpropiolic acid, 99%|phenyl-(8CI)propiolic acid|3-phenyl-prop-2-ynoic acid|SCHEMBL68968|.beta.-Phenylpropargylic acid|Phenylacetylene monocarboxylate|3-Phenyl-2-propynoic acid #|CHEMBL4059878|DTXSID7060918|CHEBI:90355|NSC13669|STK208480|AKOS000121851|CS-M-17765|CS-W007319|HY-W007319|AMY202100111|DS-18242|SY023402|FT-0632705|P0610|3-phenylprop-2-ynoate;3-Phenylpropiolic acid|EN300-28604|P-4190|A834500|AD-266/40164861|Q7181437|Z271128592 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.300 |
| Log Po/w (XLOGP3) : 2.040 |
| Log Po/w (WLOGP) : 1.200 |
| Log Po/w (MLOGP) : 1.900 |
| Log Po/w (SILICOS-IT) : 1.550 |
| Consensus Log Po/w : 1.600 |