WS8
Summary
| Name: | (3,5-dimethoxyphenyl)boronic acid |
| Formula: | C8 H11 B O4 |
| Formal charge: | 0 |
| Formula weight: | 181.982 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3,5-dimethoxyphenyl)boronic acid |
| OpenEye OEToolkits | 2.0.7 | (3,5-dimethoxyphenyl)boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc1cc(cc(OC)c1)B(O)O |
| InChI | InChI | 1.06 | InChI=1S/C8H11BO4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5,10-11H,1-2H3 |
| InChIKey | InChI | 1.06 | XUIURRYWQBBCCK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC)cc(c1)B(O)O |
| SMILES | CACTVS | 3.385 | COc1cc(OC)cc(c1)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1cc(cc(c1)OC)OC)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1cc(cc(c1)OC)OC)(O)O |
