| CAS Number | 1114822-87-5 |
| Catalog Number | AG019WZ1(AGN-PC-0WOVGH) |
| Chemical Name | 5-[(1E)-1-(Hydroxyimino)ethyl]-6-oxo-1,6-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 5-(N-hydroxy-C-methylcarbonimidoyl)-6-oxo-1H-pyridine-3-carboxylic acid |
| InChI | InChI=1S/C8H8N2O4/c1-4(10-14)6-2-5(8(12)13)3-9-7(6)11/h2-3,14H,1H3,(H,9,11)(H,12,13) |
| InChI Key | KFURRWDJWCFZDN-UHFFFAOYSA-N |
| MDL Number | MFCD11505643 |
| Molecular Formula | C8H8N2O4 |
| Molecular Weight | 196.1601 |
| SMILES | CC(C1C(=O)NC=C(C(O)=O)C=1)=NO |
| Synonyms | 5-[1-(hydroxyimino)ethyl]-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
1114822-87-5,
CTK7F2226,
CTK8F6685,
5-[(1E)-1-(hydroxyimino)ethyl]-6-oxo-1,6-dihydropyridine-3-carboxylic acid,
ZINC254629527,
MCULE-5955243943,
Z415735004,
5-[N-HYDROXYETHANIMIDOYL]-6-OXO-1,6-DIHYDROPYRIDINE-3-CARBOXYLIC ACID,
|
| Complexity | 379 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.162g/mol |
| Monoisotopic Mass | 196.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 99A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number