H5A
Summary
| Name: | 3,4,5-trimethoxybenzoic acid |
| Formula: | C10 H12 O5 |
| Formal charge: | 0 |
| Formula weight: | 212.199 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3,4,5-trimethoxybenzoic acid |
| OpenEye OEToolkits | 2.0.6 | 3,4,5-trimethoxybenzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(C(=O)O)cc(c(c(OC)c1)OC)OC |
| InChI | InChI | 1.03 | InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12) |
| InChIKey | InChI | 1.03 | SJSOFNCYXJUNBT-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)C(O)=O |
| SMILES | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc(cc(c1OC)OC)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(cc(c1OC)OC)C(=O)O |
