14B
Summary
| Name: | 2-amino-3,5-dimethylbenzoic acid |
| Formula: | C9 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 165.189 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-3,5-dimethylbenzoic acid |
| OpenEye OEToolkits | 1.7.6 | 2-azanyl-3,5-dimethyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(cc(c1N)C)C |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO2/c1-5-3-6(2)8(10)7(4-5)9(11)12/h3-4H,10H2,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.03 | GIMYRAQQQBFFFJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1cc(C)c(N)c(c1)C(O)=O |
| SMILES | CACTVS | 3.370 | Cc1cc(C)c(N)c(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(c(c1)C(=O)O)N)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(c(c1)C(=O)O)N)C |
