| CAS Number | 7101-83-9 |
| Catalog Number | AG00FGPK(AGN-PC-0WQX2E) |
| Chemical Name | 8-Cyano-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid methyl ester |
| IUPAC Name | methyl 8-cyano-4-oxo-1H-quinoline-2-carboxylate |
| InChI | InChI=1S/C12H8N2O3/c1-17-12(16)9-5-10(15)8-4-2-3-7(6-13)11(8)14-9/h2-5H,1H3,(H,14,15) |
| InChI Key | UWUBBAPAMGSTNU-UHFFFAOYSA-N |
| MDL Number | MFCD26131638 |
| Molecular Formula | C12H8N2O3 |
| Molecular Weight | 228.2035 |
| SMILES | COC(=O)c1cc(=O)c2c([nH]1)c(C#N)ccc2 |
| Synonyms | 8-Cyano-4-hydroxy-quinoline-2-carboxylic acid methyl ester,
7101-83-9,
8-Cyano-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid methyl ester,
495407-19-7,
SCHEMBL6079703,
UWUBBAPAMGSTNU-UHFFFAOYSA-N,
ZINC34364917,
AKOS027427628,
AKOS027439561,
Z-8940,
Z-8944,
Methyl-8-cyano-4-hydroxy-quinoline-2-carboxylate,
8-cyano-2-methoxycarbonyl-1,4-dihydro-4-oxoquinoline,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.207g/mol |
| Monoisotopic Mass | 228.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number