HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,6-Dimethoxyterephthalic acid
Einecs 240-872-1 · 2,6-dimethoxyterephthalic acid · 2,6-Dimethoxy-1,4-benzenedicarboxylic acid · 1,4-Benzenedicarboxylic acid, 2,6-dimethoxy-
Identifiers & Physical Properties
| CAS No. | 16849-69-7 |
|---|---|
| Molecular formula | C10H10O6 |
| Average molar mass | 226.18 g/mol |
| Monoisotopic mass | 226.04773804 g/mol |
| SMILES | COc1cc(C(=O)O)cc(OC)c1C(=O)O |
| InChIKey | XZZNMOQLQQVIFN-UHFFFAOYSA-N |
| PubChem CID | 85613 |
| ChEBI | CHEBI:207737 |
| EC No. | 240-872-1 |
| DTXSID | DTXSID80168571 |
Chemical & Physical Properties
| XLogP | 0.9 |
|---|---|
| Topological polar surface area | 93.1 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 4 |
| Heavy atoms | 16 |
| Formal charge | 0 |
| Complexity | 262 |