| CAS Number | 57785-85-0 |
| Catalog Number | AG00EKTO(AGN-PC-03SQCU) |
| Chemical Name | 1,2-Dihydro-2-Oxo-4-Pyridinecarboxylic Acid Ethyl Ester |
| IUPAC Name | ethyl 2-oxo-1H-pyridine-4-carboxylate |
| InChI | InChI=1S/C8H9NO3/c1-2-12-8(11)6-3-4-9-7(10)5-6/h3-5H,2H2,1H3,(H,9,10) |
| InChI Key | BTLPIHZIMJTFNH-UHFFFAOYSA-N |
| MDL Number | MFCD18803539 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | CCOC(=O)c1cc[nH]c(=O)c1 |
| Synonyms | 57785-85-0,
Ethyl 2-oxo-1,2-dihydropyridine-4-carboxylate,
1,2-Dihydro-2-oxo-4-pyridinecarboxylic acid ethyl ester,
ethyl 2-hydroxyisonicotinate,
SCHEMBL2969266,
2-Oxo-1,2-dihydro-pyridine-4-carboxylic acid ethyl ester,
BTLPIHZIMJTFNH-UHFFFAOYSA-N,
MFCD18803539,
ZINC47202880,
ethyl 2-hydroxy-pyridine-4-carboxylate,
ethyl 2-oxo-1H-pyridine-4-carboxylate,
RP22990,
AJ-110697,
CS-0037101,
2-HYDROXY-ISONICOTINIC ACID ETHYL ESTER,
Ethyl 2-Hydroxypyrmidine-4-carboxylate,
306961-02-4,
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| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.164g/mol |
| Monoisotopic Mass | 167.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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