BUB
Summary
| Name: | 1-BUTANE BORONIC ACID |
| Formula: | C4 H11 B O2 |
| Formal charge: | 0 |
| Formula weight: | 101.94 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | butylboronic acid |
| OpenEye OEToolkits | 1.7.6 | butylboronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OB(O)CCCC |
| InChI | InChI | 1.03 | InChI=1S/C4H11BO2/c1-2-3-4-5(6)7/h6-7H,2-4H2,1H3 |
| InChIKey | InChI | 1.03 | QPKFVRWIISEVCW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCB(O)O |
| SMILES | CACTVS | 3.385 | CCCCB(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | B(CCCC)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | B(CCCC)(O)O |
