KRT
Summary
| Name: | (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid |
| Formula: | C9 H9 B O4 |
| Formal charge: | 0 |
| Formula weight: | 191.976 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9BO4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-6,13-14H,(H,11,12)/b5-4+ |
| InChIKey | InChI | 1.03 | QCHIEOGZUMAQKI-SNAWJCMRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1cccc(/C=C/C(O)=O)c1 |
| SMILES | CACTVS | 3.385 | OB(O)c1cccc(C=CC(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1cccc(c1)/C=C/C(=O)O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(c1cccc(c1)C=CC(=O)O)(O)O |
