| CAS Number | 929028-73-9 |
| Catalog Number | AG00IHDR(AGN-PC-0W276C) |
| Chemical Name | 6-Benzyloxy-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid methyl ester |
| IUPAC Name | methyl 4-oxo-6-phenylmethoxy-1H-quinoline-2-carboxylate |
| InChI | InChI=1S/C18H15NO4/c1-22-18(21)16-10-17(20)14-9-13(7-8-15(14)19-16)23-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20) |
| InChI Key | ISEUSWBMFAUWGC-UHFFFAOYSA-N |
| MDL Number | MFCD22565618 |
| Molecular Formula | C18H15NO4 |
| Molecular Weight | 309.3160 |
| SMILES | COC(=O)c1cc(=O)c2c([nH]1)ccc(c2)OCc1ccccc1 |
| Synonyms | 929028-73-9,
Methyl 6-(benzyloxy)-4-oxo-1,4-dihydroquinoline-2-carboxylate,
6-Benzyloxy-4-hydroxy-quinoline-2-carboxylic acid methyl ester,
6-Benzyloxy-4-oxo-1,4-dihydro-quinoline-2-carboxylic acid methyl ester,
1373835-19-8,
SCHEMBL2911168,
DTXSID00621557,
ZINC95628784,
AKOS022172524,
QC-8467,
AJ-133066,
AX8259463,
Z-8850,
Z-8851,
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| Complexity | 481 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.321g/mol |
| Monoisotopic Mass | 309.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number