GVV
Summary
| Name: | ~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide |
| Formula: | C10 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 179.216 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-(4-methyl-2-oxidanyl-phenyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO2/c1-3-10(13)11-8-5-4-7(2)6-9(8)12/h4-6,12H,3H2,1-2H3,(H,11,13) |
| InChIKey | InChI | 1.03 | VFXXPGGIPBIYCC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1ccc(C)cc1O |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1ccc(C)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1ccc(cc1O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCC(=O)Nc1ccc(cc1O)C |
