EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:760712 - 3-hydroxy-3-(4-methoxyphenyl)propionitrile
| Formula | C10H11NO2 |
| Net Charge | 0 |
| Average Mass | 177.203 |
| Monoisotopic Mass | 177.07898 |
| SMILES | COc1ccc(C(O)CC#N)cc1 |
| InChI | InChI=1S/C10H11NO2/c1-13-9-4-2-8(3-5-9)10(12)6-7-11/h2-5,10,12H,6H2,1H3 |
| InChIKey | HQMWYPRJRGJPJV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-hydroxy-3-(4-methoxyphenyl)propionitrile (CHEBI:760712) is a benzyl alcohols (CHEBI:22743) |
| 3-hydroxy-3-(4-methoxyphenyl)propionitrile (CHEBI:760712) is a nitrile (CHEBI:18379) |
| 3-hydroxy-3-(4-methoxyphenyl)propionitrile (CHEBI:760712) is a secondary alcohol (CHEBI:35681) |
| UniProt Name | Source |
|---|---|
| 3-hydroxy-3-(4-methoxyphenyl)propanenitrile | UniProt |