| CAS Number | 1598436-72-6 |
| Catalog Number | AG01EL1L |
| Chemical Name | (6-Hydroxy-4-methylpyridin-3-yl)boronic acid |
| IUPAC Name | (4-methyl-6-oxo-1H-pyridin-3-yl)boronic acid |
| InChI | InChI=1S/C6H8BNO3/c1-4-2-6(9)8-3-5(4)7(10)11/h2-3,10-11H,1H3,(H,8,9) |
| InChI Key | BSPZBFCSEJAVDM-UHFFFAOYSA-N |
| MDL Number | MFCD18257316 |
| Molecular Formula | C6H8BNO3 |
| Molecular Weight | 152.9436 |
| SMILES | CC(C(B(O)O)=CN1)=CC1=O |
| Synonyms | 1598436-72-6,
2-Hydroxy-4-methylpyridine-5-boronic acid,
(6-hydroxy-4-methylpyridin-3-yl)boronic acid,
B-(1,6-dihydro-4-methyl-6-oxo-3-pyridinyl)Boronic acid,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.944g/mol |
| Monoisotopic Mass | 153.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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