6AC
Summary
| Name: | prop-2-enenitrile |
| Synonyms: | Acrylonitrile |
| Formula: | C3 H3 N |
| Formal charge: | 0 |
| Formula weight: | 53.063 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | prop-2-enenitrile |
| OpenEye OEToolkits | 1.7.6 | prop-2-enenitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N#C\C=C |
| InChI | InChI | 1.03 | InChI=1S/C3H3N/c1-2-3-4/h2H,1H2 |
| InChIKey | InChI | 1.03 | NLHHRLWOUZZQLW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C=CC#N |
| SMILES | CACTVS | 3.385 | C=CC#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C=CC#N |
| SMILES | OpenEye OEToolkits | 1.7.6 | C=CC#N |
