5M0
Summary
| Name: | 2-azanyl-5-methyl-benzoic acid |
| Synonyms: | 5-methylanthranilate |
| Formula: | C8 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 151.163 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-5-methylbenzoic acid |
| OpenEye OEToolkits | 1.9.2 | 2-azanyl-5-methyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(ccc1N)C |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,9H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | NBUUUJWWOARGNW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(N)c(c1)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(N)c(c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(c(c1)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(c(c1)C(=O)O)N |
