Q5H
Summary
| Name: | 3-acetamido-2-methylbenzoic acid |
| Formula: | C10 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 193.199 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-acetamido-2-methylbenzoic acid |
| OpenEye OEToolkits | 2.0.7 | 3-acetamido-2-methyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C)Nc1cccc(c1C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO3/c1-6-8(10(13)14)4-3-5-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)(H,13,14) |
| InChIKey | InChI | 1.03 | NWXFTFZSOVTXIX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)Nc1cccc(C(O)=O)c1C |
| SMILES | CACTVS | 3.385 | CC(=O)Nc1cccc(C(O)=O)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1NC(=O)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(cccc1NC(=O)C)C(=O)O |
