| CAS Number | 2007919-57-3 |
| Catalog Number | AG01EFMS |
| Chemical Name | Diethyl 4-oxo-1,4-dihydroquinoline-2,6-dicarboxylate |
| IUPAC Name | diethyl 4-oxo-1H-quinoline-2,6-dicarboxylate |
| InChI | InChI=1S/C15H15NO5/c1-3-20-14(18)9-5-6-11-10(7-9)13(17)8-12(16-11)15(19)21-4-2/h5-8H,3-4H2,1-2H3,(H,16,17) |
| InChI Key | NYMVTRXBVQICHG-UHFFFAOYSA-N |
| MDL Number | MFCD30471978 |
| Molecular Formula | C15H15NO5 |
| Molecular Weight | 289.2833 |
| SMILES | CCOC(=O)c1ccc2[nH]c(cc(=O)c2c1)C(=O)OCC |
| Synonyms | Diethyl 4-oxo-1,4-dihydroquinoline-2,6-dicarboxylate,
2007919-57-3,
MFCD30471978,
AKOS030628079,
ZINC498050580,
CS-0039404,
N/A,
|
| Complexity | 471 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.287g/mol |
| Monoisotopic Mass | 289.095g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number