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 |