A1JL1
Summary
| Name: | 3-acetamidobenzoic acid |
| Formula: | C9 H9 N O3 |
| Formal charge: | 0 |
| Formula weight: | 179.173 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-acetamidobenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-3-7(5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.06 | RGDPZMQZWZMONQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cccc(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc(c1)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cccc(c1)C(=O)O |
