3QD
Summary
Name: | ethylboronic acid |
Formula: | C2 H7 B O2 |
Formal charge: | 0 |
Formula weight: | 73.887 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | ethylboronic acid |
OpenEye OEToolkits | 1.9.2 | ethylboronic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OB(O)CC |
InChI | InChI | 1.03 | InChI=1S/C2H7BO2/c1-2-3(4)5/h4-5H,2H2,1H3 |
InChIKey | InChI | 1.03 | PAVZHTXVORCEHP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCB(O)O |
SMILES | CACTVS | 3.385 | CCB(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | B(CC)(O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | B(CC)(O)O |