| CAS Number | 948571-56-0 |
| Catalog Number | AG00IILI(AGN-PC-0WRADI) |
| Chemical Name | Methyl 4-oxo-1,4-dihydroquinoline-6-carboxylate |
| IUPAC Name | methyl 4-oxo-1H-quinoline-6-carboxylate |
| InChI | InChI=1S/C11H9NO3/c1-15-11(14)7-2-3-9-8(6-7)10(13)4-5-12-9/h2-6H,1H3,(H,12,13) |
| InChI Key | GYUCOKUPAXSPHW-UHFFFAOYSA-N |
| MDL Number | MFCD19105059 |
| Molecular Formula | C11H9NO3 |
| Molecular Weight | 203.1941 |
| SMILES | O=C1C=CNC2=CC=C(C=C12)C(=O)OC |
| Synonyms | methyl 4-hydroxyquinoline-6-carboxylate,
933486-45-4,
methyl 4-oxo-1,4-dihydroquinoline-6-carboxylate,
948571-56-0,
4-hydroxy-quinoline-6-carboxylic acid methyl ester,
SCHEMBL1147523,
GYUCOKUPAXSPHW-UHFFFAOYSA-N,
ZINC35261363,
AKOS027421092,
AKOS027427675,
CS-0088267,
6-Quinolinecarboxylic acid, 4-hydroxy-, methyl ester,
6-Quinolinecarboxylic acid, 1,4-dihydro-4-oxo-, methyl ester,
ACN-045943,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 203.197g/mol |
| Monoisotopic Mass | 203.058g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number