PBA
Summary
| Name: | PHENYLETHANE BORONIC ACID |
| Formula: | C8 H11 B O2 |
| Formal charge: | 0 |
| Formula weight: | 149.983 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2-phenylethyl)boronic acid |
| OpenEye OEToolkits | 1.5.0 | phenethylboronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OB(O)CCc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OB(O)CCc1ccccc1 |
| SMILES | CACTVS | 3.341 | OB(O)CCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B(CCc1ccccc1)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | B(CCc1ccccc1)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H11BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5,10-11H,6-7H2 |
| InChIKey | InChI | 1.03 | VPRUMANMDWQMNF-UHFFFAOYSA-N |
