| CAS Number | 500372-11-2 |
| Catalog Number | AG00I8XK |
| Chemical Name | 1,2-DIHYDRO-3-HYDROXY-2-OXO-4-PYRIDINECARBOXYLIC ACID ETHYL ESTER |
| IUPAC Name | ethyl 3-hydroxy-2-oxo-1H-pyridine-4-carboxylate |
| InChI | InChI=1S/C8H9NO4/c1-2-13-8(12)5-3-4-9-7(11)6(5)10/h3-4,10H,2H2,1H3,(H,9,11) |
| InChI Key | SMGWTFKTEJPFCA-UHFFFAOYSA-N |
| MDL Number | MFCD03452737 |
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.1614 |
| SMILES | O=C(C(C=CN1)=C(O)C1=O)OCC |
| Synonyms | 500372-11-2,
1,2-DIHYDRO-3-HYDROXY-2-OXO-4-PYRIDINECARBOXYLIC ACID ETHYL ESTER,
ethyl 3-hydroxy-2-oxo-1,2-dihydropyridine-4-carboxylate,
SCHEMBL754622,
DTXSID20715982,
SMGWTFKTEJPFCA-UHFFFAOYSA-N,
MFCD03452737,
VT1103,
ZINC91693051,
FT-0735672,
3-hydroxy-2-oxo-1,2-dihydropyridine-4-carboxylate ethyl ester,
ethyl 1,2-dihydro-3-hydroxy-2-oxopyridine-4-carboxylate,
|
| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.163g/mol |
| Monoisotopic Mass | 183.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number