B0S
Summary
Name: | tridecylboronic acid |
Formula: | C13 H29 B O2 |
Formal charge: | 0 |
Formula weight: | 228.179 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | tridecylboronic acid |
OpenEye OEToolkits | 1.7.6 | tridecylboronic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OB(O)CCCCCCCCCCCCC |
InChI | InChI | 1.03 | InChI=1S/C13H29BO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h15-16H,2-13H2,1H3 |
InChIKey | InChI | 1.03 | IBKXABQGVIIFFS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCB(O)O |
SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCB(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | B(CCCCCCCCCCCCC)(O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | B(CCCCCCCCCCCCC)(O)O |