| CAS Number | 115801-85-9 |
| Catalog Number | AG018BQ4(AGN-PC-0MYU4I) |
| Chemical Name | Methyl 2-methoxyquinoline-4-carboxylate |
| IUPAC Name | methyl 2-methoxyquinoline-4-carboxylate |
| InChI | InChI=1S/C12H11NO3/c1-15-11-7-9(12(14)16-2)8-5-3-4-6-10(8)13-11/h3-7H,1-2H3 |
| InChI Key | MCOOETCYPKUYLA-UHFFFAOYSA-N |
| MDL Number | MFCD25955997 |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.2206 |
| SMILES | COC(C1=C2C(C=CC=C2)=NC(OC)=C1)=O |
| Synonyms | Methyl 2-methoxyquinoline-4-carboxylate,
115801-85-9,
2-methoxy-quinoline-4-carboxylic acid methyl ester,
F1967-1680,
SCHEMBL7487026,
ZINC34217386,
AKOS024619032,
2-methoxyquinoline-4-carboxylic acid methyl ester,
CID10104762,
|
| 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 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number