| CAS Number | 922520-00-1 |
| Catalog Number | AG01DHAL(AGN-PC-0ON5DS) |
| Chemical Name | Ethyl 4-hydroxy-7-methoxy-8-methylquinoline-3-carboxylate |
| IUPAC Name | ethyl 7-methoxy-8-methyl-4-oxo-1H-quinoline-3-carboxylate |
| InChI | InChI=1S/C14H15NO4/c1-4-19-14(17)10-7-15-12-8(2)11(18-3)6-5-9(12)13(10)16/h5-7H,4H2,1-3H3,(H,15,16) |
| InChI Key | NCKHXYXGTXKGGS-UHFFFAOYSA-N |
| MDL Number | MFCD30565055 |
| Molecular Formula | C14H15NO4 |
| Molecular Weight | 261.2732 |
| SMILES | CCOC(=O)c1cnc2c(C)c(OC)ccc2c1O |
| Synonyms | 922520-00-1,
ethyl 4-hydroxy-7-methoxy-8-methylquinoline-3-carboxylate,
3-Quinolinecarboxylic acid, 4-hydroxy-7-methoxy-8-methyl-, ethyl ester,
SCHEMBL995302,
CTK3H0449,
DTXSID00727306,
NCKHXYXGTXKGGS-UHFFFAOYSA-N,
AKOS030566351,
Ethyl 7-methoxy-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate,
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| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.277g/mol |
| Monoisotopic Mass | 261.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number