| CAS Number | 1015229-31-8 |
| Catalog Number | AG0004PJ(AGN-PC-0WAAPN) |
| Chemical Name | 5-(2-Methoxyethoxy)pyridine-3-boronic acid |
| IUPAC Name | [5-(2-methoxyethoxy)pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C8H12BNO4/c1-13-2-3-14-8-4-7(9(11)12)5-10-6-8/h4-6,11-12H,2-3H2,1H3 |
| InChI Key | JXXBPUDJOSTZFL-UHFFFAOYSA-N |
| MDL Number | MFCD13183780 |
| Molecular Formula | C8H12BNO4 |
| Molecular Weight | 196.9962 |
| SMILES | COCCOC1=CN=CC(B(O)O)=C1 |
| Synonyms | 5-(2-METHOXYETHOXY)PYRIDINE-3-BORONIC ACID,
1015229-31-8,
(5-(2-Methoxyethoxy)pyridin-3-yl)boronic acid,
Boronic acid, B-[5-(2-methoxyethoxy)-3-pyridinyl]-,
[5-(2-methoxyethoxy)pyridin-3-yl]boronic acid,
ACMC-2097vn,
SCHEMBL2558085,
CTK3J9870,
DTXSID30681902,
ANW-14481,
MFCD13183780,
AKOS013491839,
ZINC169935282,
OR361357,
TR-033809,
X1489,
A-4111,
I02-3473,
C8H12BNO4,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.997g/mol |
| Monoisotopic Mass | 197.086g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number