| CAS Number | 1334172-77-8 |
| Catalog Number | AG01A0KZ |
| Chemical Name | {4-[(2-oxo-1,2-dihydropyridin-1-yl)methyl]phenyl}boronic acid |
| IUPAC Name | [4-[(2-oxopyridin-1-yl)methyl]phenyl]boronic acid |
| InChI | InChI=1S/C12H12BNO3/c15-12-3-1-2-8-14(12)9-10-4-6-11(7-5-10)13(16)17/h1-8,16-17H,9H2 |
| InChI Key | FCZQOPXXWYEQJN-UHFFFAOYSA-N |
| MDL Number | MFCD16198393 |
| Molecular Formula | C12H12BNO3 |
| Molecular Weight | 229.0396 |
| SMILES | OB(C1=CC=C(CN2C(=O)C=CC=C2)C=C1)O |
| Synonyms | {4-[(2-oxo-1,2-dihydropyridin-1-yl)methyl]phenyl}boronic acid,
1334172-77-8,
SCHEMBL15331226,
AKOS005974337,
ZINC169926292,
NE31426,
Z2471187084,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.091023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.04g/mol |
| Monoisotopic Mass | 229.091023g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 60.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number