RZZ
Summary
| Name: | 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid |
| Synonyms: | 1-methyl-3H-2,1-benzoxaborole-6-carboxylic acid 1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxylic acid; 5-Carboxybenzoboroxole; 2,1-Benzoxaborole-6-carboxylic acid, 1,3-dihydro-1-hydroxy- |
| Formula: | C8 H7 B O4 |
| Formal charge: | 0 |
| Formula weight: | 177.95 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-oxidanyl-3~{H}-2,1-benzoxaborole-6-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H7BO4/c10-8(11)5-1-2-6-4-13-9(12)7(6)3-5/h1-3,12H,4H2,(H,10,11) |
| InChIKey | InChI | 1.03 | VXDGEAYKTHEYPI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1OCc2ccc(cc12)C(O)=O |
| SMILES | CACTVS | 3.385 | OB1OCc2ccc(cc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(c2cc(ccc2CO1)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2cc(ccc2CO1)C(=O)O)O |
