EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C11H11NO2 |
| Net Charge | 0 |
| Average Mass | 189.214 |
| Monoisotopic Mass | 189.07898 |
| SMILES | CC(=O)c1ccc(C(O)CC#N)cc1 |
| InChI | InChI=1S/C11H11NO2/c1-8(13)9-2-4-10(5-3-9)11(14)6-7-12/h2-5,11,14H,6H2,1H3 |
| InChIKey | CVMFHZXGQALESI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-hydroxy-3-(4-acetylphenyl)propionitrile (CHEBI:760710) is a benzyl alcohols (CHEBI:22743) |
| 3-hydroxy-3-(4-acetylphenyl)propionitrile (CHEBI:760710) is a nitrile (CHEBI:18379) |
| 3-hydroxy-3-(4-acetylphenyl)propionitrile (CHEBI:760710) is a secondary alcohol (CHEBI:35681) |
| UniProt Name | Source |
|---|---|
| 3-hydroxy-3-(4-acetylphenyl)propanenitrile | UniProt |