| Phytochemical Name : (R)-mandelonitrile |
| PCNDIDOT0234 |
| Pubchem CID : 9548674 |
| Molecular formula: C8H7NO |
| Canonical SMILES : C1=CC=C(C=C1)C(C#N)O |
Synonymes : 10020-96-9|(R)-2-Hydroxy-2-phenylacetonitrile|(R)-mandelonitrile|(R)-(+)-mandelonitrile|(+)-mandelonitrile|d-mandelonitrile|Mandelonitrile, (+)-|(R)-(+)-ALPHA-HYDROXYBENZENE-ACETONITRILE|Mandelonitrile D-form [MI]|(2R)-2-hydroxy-2-phenylacetonitrile|Benzeneacetonitrile, alpha-hydroxy-, (alphaR)-|(R)-Hydroxy(phenyl)acetonitrile|(2R)-hydroxy(phenyl)acetonitrile|(+)-alpha-Mandelonitrile|UNII-B46TK780ZC|B46TK780ZC|(2r)-Hydroxy(Phenyl)ethanenitrile|MFCD01320485|(2R)-2-Hydroxy-2-phenyl-acetonitrile|Benzeneacetonitrile, a-hydroxy-, (aR)-|(R)-(+)-alpha-Hydroxybenzeneacetonitrile|(+)-(alphaR)-alpha-Hydroxybenzeneacetonitrile|MXN|MANDELONITRILE, D-|SCHEMBL6061809|CHEBI:18450|DTXSID50429525|(R)-(+)-Mandelonitrile, 97%|(+)-.ALPHA.-MANDELONITRILE|(R)-(+)-alpha-cyanobenzyl alcohol|AKOS016842280|(R)-(+)-MANDELONITRILE 97%|C00561|A897547|J-000064|Q27109028|(+)-(.ALPHA.R)-.ALPHA.-HYDROXYBENZENEACETONITRILE|BENZENEACETONITRILE, .ALPHA.-HYDROXY-, (.ALPHA.R)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.350 |
| Log Po/w (XLOGP3) : 1.010 |
| Log Po/w (WLOGP) : 0.920 |
| Log Po/w (MLOGP) : 0.850 |
| Log Po/w (SILICOS-IT) : 1.350 |
| Consensus Log Po/w : 1.100 |