| CAS Number | 1355233-81-6 |
| Catalog Number | AG01DLS9(AGN-PC-0WNVZB) |
| Chemical Name | Methyl 8-Methoxyquinoline-4-Carboxylate |
| IUPAC Name | methyl 8-methoxyquinoline-4-carboxylate |
| InChI | InChI=1S/C12H11NO3/c1-15-10-5-3-4-8-9(12(14)16-2)6-7-13-11(8)10/h3-7H,1-2H3 |
| InChI Key | QSFHFIGETKEACP-UHFFFAOYSA-N |
| MDL Number | MFCD21086462 |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.2206 |
| SMILES | O=C(C1=CC=NC2=C(OC)C=CC=C12)OC |
| Synonyms | Methyl 8-methoxyquinoline-4-carboxylate,
1355233-81-6,
8-Methoxy-quinoline-4-carboxylic acid methyl ester,
SCHEMBL16965308,
QSFHFIGETKEACP-UHFFFAOYSA-N,
ZINC72221176,
CS-0061999,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.224g/mol |
| Monoisotopic Mass | 217.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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