4M0
Summary
| Name: | 2-azanyl-4-methyl-benzoic acid |
| Synonyms: | 4-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-4-methylbenzoic acid |
| OpenEye OEToolkits | 1.9.2 | 2-azanyl-4-methyl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1ccc(cc1N)C |
| InChI | InChI | 1.03 | InChI=1S/C8H9NO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,9H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | RPGKFFKUTVJVPY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(c(N)c1)C(O)=O |
| SMILES | CACTVS | 3.385 | Cc1ccc(c(N)c1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc(c(c1)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc(c(c1)N)C(=O)O |
