HJB
Summary
| Name: | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid |
| Formula: | C10 H12 B O5 |
| Formal charge: | -1 |
| Formula weight: | 223.01 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-5-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H12BO5/c12-9(13)5-4-7-2-1-3-8-6-16-11(14,15)10(7)8/h1-3,14-15H,4-6H2,(H,12,13)/q-1 |
| InChIKey | InChI | 1.03 | CKXGLMTUQXTCMV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCc1cccc2CO[B-](O)(O)c12 |
| SMILES | CACTVS | 3.385 | OC(=O)CCc1cccc2CO[B-](O)(O)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [B-]1(c2c(cccc2CCC(=O)O)CO1)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | [B-]1(c2c(cccc2CCC(=O)O)CO1)(O)O |
