| CAS Number | 1311166-07-0 |
| Catalog Number | AG01AJH5 |
| Chemical Name | (3-[2-(Piperidin-1-yl)ethoxy]phenyl)boranediol |
| IUPAC Name | [3-(2-piperidin-1-ylethoxy)phenyl]boronic acid |
| InChI | InChI=1S/C13H20BNO3/c16-14(17)12-5-4-6-13(11-12)18-10-9-15-7-2-1-3-8-15/h4-6,11,16-17H,1-3,7-10H2 |
| InChI Key | RVGXCTOOQRWXTB-UHFFFAOYSA-N |
| MDL Number | MFCD11540656 |
| Molecular Formula | C13H20BNO3 |
| Molecular Weight | 249.1138 |
| SMILES | OB(C1=CC=CC(OCCN2CCCCC2)=C1)O |
| Synonyms | {3-[2-(piperidin-1-yl)ethoxy]phenyl}boronic acid,
1311166-07-0,
ZINC169920224,
NE34592,
EN300-80747,
{3-[2-(piperidin-1-yl)ethoxy]phenyl}boranediol,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.154g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.117g/mol |
| Monoisotopic Mass | 249.154g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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