CVB
Summary
| Name: | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID |
| Formula: | C9 H9 B O4 |
| Formal charge: | 0 |
| Formula weight: | 191.976 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2E)-3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid |
| OpenEye OEToolkits | 1.5.0 | (E)-3-[4-(dihydroxyboranyl)phenyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)\C=C\c1ccc(B(O)O)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OB(O)c1ccc(\C=C\C(O)=O)cc1 |
| SMILES | CACTVS | 3.341 | OB(O)c1ccc(C=CC(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B(c1ccc(cc1)\C=C\C(=O)O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | B(c1ccc(cc1)C=CC(=O)O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9BO4/c11-9(12)6-3-7-1-4-8(5-2-7)10(13)14/h1-6,13-14H,(H,11,12)/b6-3+ |
| InChIKey | InChI | 1.03 | IEMLKNHGGSYOMP-ZZXKWVIFSA-N |
