A1JLW
Summary
| Name: | 2-[(9~{R})-8-oxa-7-boranidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]ethanoic acid |
| Formula: | C9 H8 B O3 |
| Formal charge: | -1 |
| Formula weight: | 174.969 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[(9~{R})-8-oxa-7-boranidabicyclo[4.3.0]nona-1,3,5-trien-9-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H10BO3/c11-9(12)5-8-6-3-1-2-4-7(6)10-13-8/h1-4,8H,5,10H2,(H,11,12)/q-1/t8-/m1/s1 |
| InChIKey | InChI | 1.06 | WSUGZMHWDLEWLO-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C[C@H]1O[B-]c2ccccc12 |
| SMILES | CACTVS | 3.385 | OC(=O)C[CH]1O[B-]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-]1c2ccccc2[C@H](O1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-]1c2ccccc2C(O1)CC(=O)O |
