| CAS Number | 250641-16-8 |
| Catalog Number | AG019EUA(AGN-PC-0WG4BJ) |
| Chemical Name | 6-(Benzyloxy)quinoline-2,4-dicarboxylic acid |
| IUPAC Name | 6-phenylmethoxyquinoline-2,4-dicarboxylic acid |
| InChI | InChI=1S/C18H13NO5/c20-17(21)14-9-16(18(22)23)19-15-7-6-12(8-13(14)15)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21)(H,22,23) |
| InChI Key | TVYZHPKNCIDPQV-UHFFFAOYSA-N |
| MDL Number | MFCD30185857 |
| Molecular Formula | C18H13NO5 |
| Molecular Weight | 323.2995 |
| SMILES | OC(=O)c1cc(C(O)=O)c2cc(OCc3ccccc3)ccc2n1 |
| Synonyms | 6-(Benzyloxy)quinoline-2,4-dicarboxylic acid,
250641-16-8,
CHEMBL73304,
BDBM50081123,
MFCD30185857,
ZINC13473778,
6-Benzyloxy-quinoline-2,4-dicarboxylic acid,
CS-0037510,
CID10903395,
6-phenylmethoxyquinoline-2,4-dicarboxylic Acid,
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| Complexity | 462 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.304g/mol |
| Monoisotopic Mass | 323.079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 96.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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