TWO
Summary
| Name: | 3,4-dimethoxybenzoic acid |
| Synonyms: | VERATRIC ACID |
| Formula: | C9 H10 O4 |
| Formal charge: | 0 |
| Formula weight: | 182.173 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,4-dimethoxybenzoic acid |
| OpenEye OEToolkits | 1.7.6 | 3,4-dimethoxybenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(OC)c(OC)cc1 |
| InChI | InChI | 1.03 | InChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11) |
| InChIKey | InChI | 1.03 | DAUAQNGYDSHRET-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1OC)C(O)=O |
| SMILES | CACTVS | 3.370 | COc1ccc(cc1OC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1OC)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | COc1ccc(cc1OC)C(=O)O |
