| CAS Number | 1000340-03-3 |
| Catalog Number | AG00H94G |
| Chemical Name | Ethyl 1-cyclopropyl-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate |
| IUPAC Name | ethyl 1-cyclopropyl-4-hydroxy-6-oxopyridine-3-carboxylate |
| InChI | InChI=1S/C11H13NO4/c1-2-16-11(15)8-6-12(7-3-4-7)10(14)5-9(8)13/h5-7,13H,2-4H2,1H3 |
| InChI Key | JTNPJCWCSMZQNA-UHFFFAOYSA-N |
| MDL Number | MFCD09910405 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | O=C(C(C(O)=C1)=CN(C2CC2)C1=O)OCC |
| Synonyms | 1000340-03-3,
ETHYL 1-CYCLOPROPYL-4-HYDROXY-6-OXO-1,6-DIHYDROPYRIDINE- 3-CARBOXYLATE,
Ethyl 1-cyclopropyl-4-hydroxy-6-oxo-1,6-dihydropyridine-3-carboxylate,
CTK6F6982,
AR2744,
MFCD09910405,
ZINC35287372,
AKOS027334939,
AS-45431,
X-3567,
|
| Complexity | 393 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.228g/mol |
| Monoisotopic Mass | 223.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number