| CAS Number | 344443-57-8 |
| Catalog Number | AG00D4X6(AGN-PC-0WAI7N) |
| Chemical Name | Ethyl 2,4-dihydroxy-6-methyl-5-nitronicotinate |
| IUPAC Name | ethyl 4-hydroxy-6-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxylate |
| InChI | InChI=1S/C9H10N2O6/c1-3-17-9(14)5-7(12)6(11(15)16)4(2)10-8(5)13/h3H2,1-2H3,(H2,10,12,13) |
| InChI Key | MSOMAFOTDFFXAP-UHFFFAOYSA-N |
| MDL Number | MFCD18445903 |
| Molecular Formula | C9H10N2O6 |
| Molecular Weight | 242.1855 |
| SMILES | CCOC(C1=C(O)C([N+]([O-])=O)=C(C)N=C1O)=O |
| Synonyms | Ethyl 2,4-dihydroxy-6-methyl-5-nitronicotinate,
344443-57-8,
DTXSID10715971,
MFCD18445903,
ZINC62714213,
AKOS016012644,
AJ-114216,
AX8249000,
Ethyl 4-hydroxy-6-methyl-5-nitro-2-oxo-1,2-dihydropyridine-3-carboxylate,
Ethyl2,4-dihydroxy-6-methyl-5-nitronicotinate,
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| Complexity | 457 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.187g/mol |
| Monoisotopic Mass | 242.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 121A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number