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 |