2HT
Summary
| Name: | 3-methylbenzonitrile |
| Formula: | C8 H7 N |
| Formal charge: | 0 |
| Formula weight: | 117.148 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-methylbenzonitrile |
| OpenEye OEToolkits | 1.5.0 | 3-methylbenzonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | N#Cc1cccc(c1)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc(c1)C#N |
| SMILES | CACTVS | 3.341 | Cc1cccc(c1)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)C#N |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc(c1)C#N |
| InChI | InChI | 1.03 | InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3 |
| InChIKey | InChI | 1.03 | BOHCMQZJWOGWTA-UHFFFAOYSA-N |
