Z06
Summary
| Name: | (3-acetamido-5-carboxy-phenyl)-trihydroxy-boron |
| Formula: | C9 H11 B N O6 |
| Formal charge: | -1 |
| Formula weight: | 239.998 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 1.6.1 | (3-acetamido-5-carboxy-phenyl)-trihydroxy-boron |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CC(=O)Nc1cc(cc(c1)[B-](O)(O)O)C(O)=O |
| SMILES | CACTVS | 3.352 | CC(=O)Nc1cc(cc(c1)[B-](O)(O)O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | [B-](c1cc(cc(c1)NC(=O)C)C(=O)O)(O)(O)O |
| SMILES | OpenEye OEToolkits | 1.6.1 | [B-](c1cc(cc(c1)NC(=O)C)C(=O)O)(O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H11BNO6/c1-5(12)11-8-3-6(9(13)14)2-7(4-8)10(15,16)17/h2-4,15-17H,1H3,(H,11,12)(H,13,14)/q-1 |
| InChIKey | InChI | 1.03 | ZONDIXDEBAKRPT-UHFFFAOYSA-N |
