| CAS Number | 903899-12-7 |
| Catalog Number | AG00IG4M(AGN-PC-0WOK3J) |
| Chemical Name | 5-Cyano-1,2-dihydro-2-oxopyridine-3-boronic acid |
| IUPAC Name | (5-cyano-2-oxo-1H-pyridin-3-yl)boronic acid |
| InChI | InChI=1S/C6H5BN2O3/c8-2-4-1-5(7(11)12)6(10)9-3-4/h1,3,11-12H,(H,9,10) |
| InChI Key | XLTWXXALSLWYIW-UHFFFAOYSA-N |
| MDL Number | MFCD12964582 |
| Molecular Formula | C6H5BN2O3 |
| Molecular Weight | 163.9265 |
| SMILES | N#Cc1c[nH]c(=O)c(c1)B(O)O |
| Synonyms | 5-Cyano-1,2-dihydro-2-oxopyridine-3-boronic acid,
903899-12-7,
AKOS025293780,
ZINC170002743,
FCH1173662,
OR361010,
V8910,
C6H5BN2O3,
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| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.927g/mol |
| Monoisotopic Mass | 164.039g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 93.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number