| CAS Number | 1454558-46-3 |
| Catalog Number | AG00HXFB |
| Chemical Name | 1-Methyl-2-oxopyridine-3-boronic acid |
| IUPAC Name | (1-methyl-2-oxopyridin-3-yl)boronic acid |
| InChI | InChI=1S/C6H8BNO3/c1-8-4-2-3-5(6(8)9)7(10)11/h2-4,10-11H,1H3 |
| InChI Key | IPAHLTCMITXOQM-UHFFFAOYSA-N |
| MDL Number | MFCD23699496 |
| Molecular Formula | C6H8BNO3 |
| Molecular Weight | 152.9436 |
| SMILES | OB(c1cccn(c1=O)C)O |
| Synonyms | 1-Methyl-2-oxopyridine-3-boronic acid,
(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)boronic acid,
1454558-46-3,
SCHEMBL15261185,
IPAHLTCMITXOQM-UHFFFAOYSA-N,
KM3779,
MFCD23699496,
ZINC169988661,
CS-0080862,
W2894,
(1-METHYL-2-OXOPYRIDIN-3-YL)BORONIC ACID,
C6H8BNO3,
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| Complexity | 234 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.944g/mol |
| Monoisotopic Mass | 153.06g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number