3AO
Summary
| Name: | 1-(3-aminophenyl)ethanone |
| Formula: | C8 H9 N O |
| Formal charge: | 0 |
| Formula weight: | 135.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-aminophenyl)ethanone |
| OpenEye OEToolkits | 1.7.0 | 1-(3-aminophenyl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(c1cc(N)ccc1)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)c1cccc(N)c1 |
| SMILES | CACTVS | 3.370 | CC(=O)c1cccc(N)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(=O)c1cccc(c1)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(=O)c1cccc(c1)N |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,9H2,1H3 |
| InChIKey | InChI | 1.03 | CKQHAYFOPRIUOM-UHFFFAOYSA-N |
