| Phytochemical Name : Acetone cyanohydrin |
| PCNDIDA0011 |
| Pubchem CID : 6406 |
| Molecular formula: C4H7NO |
| Canonical SMILES : CC(C)(C#N)O |
Synonymes : ACETONE CYANOHYDRIN|2-Hydroxy-2-methylpropanenitrile|75-86-5|Acetone cyanhydrin|2-Hydroxyisobutyronitrile|2-Methyllactonitrile|2-Cyano-2-propanol|alpha-Hydroxyisobutyronitrile|Acetoncyanhydrin|2-Cyano-2-hydroxypropane|Propanenitrile, 2-hydroxy-2-methyl-|2-Propanone, cyanohydrin|Acetoncianidrina|Acetonkyanhydrin|Lactonitrile, 2-methyl-|2-Hydroxy-2-methylpropionitrile|Acetoncianhidrinei|Acetoncyaanhydrine|Acetonecyanhydrine|Cyanhydrine d'acetone|USAF RH-8|RCRA waste number P069|.alpha.-Hydroxyisobutyronitrile|Acetonkyanhydrin [Czech]|Acetoncyanhydrin [German]|Acetoncianidrina [Italian]|Acetoncyaanhydrine [Dutch]|Acetonecyanhydrine [French]|Acetoncianhidrinei [Romanian]|NSC 131093|Acetone cyanohydrin, stabilized|CCRIS 4657|Cyanhydrine d'acetone [French]|HSDB 971|2-hydroxy-2-methyl-propionitrile|a-hydroxyisobutyronitrile|CO1YOV1KFI|UNII-CO1YOV1KFI|EINECS 200-909-4|UN1541|RCRA waste no. P069|BRN 0605391|AI3-04257|DTXSID7025427|CHEBI:15348|NSC-131093|EC 200-909-4|4-03-00-00785 (Beilstein Handbook Reference)|WLN: QX1&1&CN|DTXCID705427|Acetonecyanohydrin|CAS-75-86-5|aceton cyanohydrin|2-hydroxy-2-methyl-propanenitrile|acetone cyanhydrine|acetone-cyanohydrin|acetone cyanohydrine|acetone-cyanohydrine|acetone cyano-hydrin|2-Ciano-2-propanol|2-Cyanopropan-2-ol|Cyanohydrin-2-propanone|ACY (CHRIS Code)|2-hydroxy-2-cyanopropane|Acetone cyanohydrin, 99%|2-methyl-2-hydroxypropanitrile|NSC977|2-hydroxy-2-methylpropaneitrile|2-methyl-2-hydroxypropionitrile|ACETONE CYANOHYDRIN [MI]|CHEMBL1231861|DIMETHYLKETONE CYANOHYDRIN|2-Methyl-2-hydroxypropanenitrile|NSC-977|NSC7080|2-hydroxy-2-methylpropane nitrile|2-methyl-2-oxidanyl-propanenitrile|2-Hydroxy-2-methylpropanenitrile #|NSC-7080|Propanonitrilo, 2-hidroxi-2-metil-|Tox21_201490|Tox21_303256|BBL011349|MFCD00004455|NA1541|NSC131093|STL146439|AKOS000118890|DB02203|LS-1677|UN 1541|NCGC00249054-01|NCGC00257016-01|NCGC00259041-01|FT-0665317|M0361|EN300-19189|Methyllactonitrile 2-; (Acetone cyanohydrin)|C02659|A838531|Q222936|Acetone cyanohydrin, stabilized [UN1541] [Poison]|W-109043|Acetone cyanohydrin, stabilized [UN1541] [Poison]|F1908-0094 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.060 |
| Log Po/w (XLOGP3) : -0.080 |
| Log Po/w (WLOGP) : 0.280 |
| Log Po/w (MLOGP) : -0.330 |
| Log Po/w (SILICOS-IT) : -0.220 |
| Consensus Log Po/w : 0.140 |

