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 |