4CB
Summary
| Name: | 4-CARBOXYPHENYLBORONIC ACID |
| Formula: | C7 H7 B O4 |
| Formal charge: | 0 |
| Formula weight: | 165.939 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 4-(dihydroxyboranyl)benzoic acid |
| OpenEye OEToolkits | 1.5.0 | 4-(dihydroxyboranyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)c1ccc(B(O)O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OB(O)c1ccc(cc1)C(O)=O |
| SMILES | CACTVS | 3.341 | OB(O)c1ccc(cc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B(c1ccc(cc1)C(=O)O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | B(c1ccc(cc1)C(=O)O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10) |
| InChIKey | InChI | 1.03 | SIAVMDKGVRXFAX-UHFFFAOYSA-N |
