| CAS Number | 1820639-56-2 |
| Catalog Number | AG00I0LO(AGN-PC-0WQX26) |
| Chemical Name | Ethyl 5-amino-4,6-dihydroxynicotinate |
| IUPAC Name | ethyl 5-amino-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate |
| InChI | InChI=1S/C8H10N2O4/c1-2-14-8(13)4-3-10-7(12)5(9)6(4)11/h3H,2,9H2,1H3,(H2,10,11,12) |
| InChI Key | ZHQVERFBPLXIQB-UHFFFAOYSA-N |
| MDL Number | MFCD27991356 |
| Molecular Formula | C8H10N2O4 |
| Molecular Weight | 198.1760 |
| SMILES | CCOC(=O)C1=CN=C(O)C(N)=C1O |
| Synonyms | ETHYL 5-AMINO-4,6-DIHYDROXYNICOTINATE,
1820639-56-2,
MFCD27991356,
ZINC97757530,
AKOS026718951,
AS-36169,
X-2420,
F2167-2795,
ethyl 5-amino-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.178g/mol |
| Monoisotopic Mass | 198.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number