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 |