14F
Summary
| Name: | 2-amino-4,5-dimethoxybenzoic acid |
| Formula: | C9 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 197.188 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-4,5-dimethoxybenzoic acid |
| OpenEye OEToolkits | 1.7.0 | 2-azanyl-4,5-dimethoxy-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1c(cc(OC)c(OC)c1)N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1cc(N)c(cc1OC)C(O)=O |
| SMILES | CACTVS | 3.370 | COc1cc(N)c(cc1OC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc(c(cc1OC)N)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc(c(cc1OC)N)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12) |
| InChIKey | InChI | 1.03 | HJVAVGOPTDJYOJ-UHFFFAOYSA-N |
