A1AX2
Summary
| Name: | N-(3-ethynylphenyl)acetamide |
| Formula: | C10 H9 N O |
| Formal charge: | 0 |
| Formula weight: | 159.185 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(3-ethynylphenyl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-ethynylphenyl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)Nc1cc(ccc1)C#C |
| InChI | InChI | 1.06 | InChI=1S/C10H9NO/c1-3-9-5-4-6-10(7-9)11-8(2)12/h1,4-7H,2H3,(H,11,12) |
| InChIKey | InChI | 1.06 | KPCKMWGCLHYFCN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)C#C |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)C#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc(c1)C#C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc(c1)C#C |
