| CAS Number | 1256346-31-2 |
| Catalog Number | AG000O2H(AGN-PC-0WAAU9) |
| Chemical Name | 5-(Dimethoxymethyl)pyridine-3-boronic acid |
| IUPAC Name | [5-(dimethoxymethyl)pyridin-3-yl]boronic acid |
| InChI | InChI=1S/C8H12BNO4/c1-13-8(14-2)6-3-7(9(11)12)5-10-4-6/h3-5,8,11-12H,1-2H3 |
| InChI Key | FBNACDCFMQPHKW-UHFFFAOYSA-N |
| MDL Number | MFCD16295080 |
| Molecular Formula | C8H12BNO4 |
| Molecular Weight | 196.9962 |
| SMILES | COC(c1cncc(c1)B(O)O)OC |
| Synonyms | 5-(DIMETHOXYMETHYL)PYRIDINE-3-BORONIC ACID,
1256346-31-2,
(5-(Dimethoxymethyl)pyridin-3-yl)boronic acid,
[5-(dimethoxymethyl)pyridin-3-yl]boronic acid,
ACMC-209ax4,
CTK4B4545,
DTXSID10681667,
ANW-18422,
MFCD16295080,
AKOS006332708,
ZINC169934322,
OR361140,
TR-035202,
CS-0091001,
X1870,
B-2376,
I02-3455,
Boronic acid, B-[5-(dimethoxymethyl)-3-pyridinyl]-,
C8H12BNO4,
|
| Complexity | 165 |
| 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 | 4 |
| Topological Polar Surface Area | 71.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number