| CAS Number | 1217500-70-3 |
| Catalog Number | AG0015R2(AGN-PC-0WABG3) |
| Chemical Name | 5-Formylpyridine-2-boronic acid, hydrate |
| IUPAC Name | (5-formylpyridin-2-yl)boronic acid;hydrate |
| InChI | InChI=1S/C6H6BNO3.H2O/c9-4-5-1-2-6(7(10)11)8-3-5;/h1-4,10-11H;1H2 |
| InChI Key | BCLDLQBSWPNBNM-UHFFFAOYSA-N |
| MDL Number | MFCD08703261 |
| Molecular Formula | C6H8BNO4 |
| Molecular Weight | 168.9430 |
| SMILES | OC(c1ccc(nc1)B(O)O)O |
| Synonyms | 1217500-70-3,
5-Formylpyridine-2-boronic acid, hydrate,
5-Formylpyridine-2-boronic acid,hydrate,
5-Formylpyridine-2-boronic acid hydrate,
(5-Formylpyridin-2-yl)boronic acid hydrate,
ACMC-209afl,
C6H6BNO3.H2O,
CTK4B2643,
DTXSID60681551,
ANW-17791,
MFCD08703261,
AKOS015855165,
OR361241,
TR-034663,
Z8447,
(5-Formylpyridin-2-yl)boronic acid--water (1/1),
I02-3534,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.943g/mol |
| Monoisotopic Mass | 169.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.4A^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