| CAS Number | 52144-36-2 |
| Catalog Number | AG01A31B |
| Chemical Name | 4-(2-methoxyethoxy)quinoline-2-carboxylic acid |
| IUPAC Name | 4-(2-methoxyethoxy)quinoline-2-carboxylic acid |
| InChI | InChI=1S/C13H13NO4/c1-17-6-7-18-12-8-11(13(15)16)14-10-5-3-2-4-9(10)12/h2-5,8H,6-7H2,1H3,(H,15,16) |
| InChI Key | DXCUSGFEDABNDO-UHFFFAOYSA-N |
| MDL Number | MFCD18570109 |
| Molecular Formula | C13H13NO4 |
| Molecular Weight | 247.2466 |
| SMILES | COCCOC1=C2C(C=CC=C2)=NC(C(O)=O)=C1 |
| Synonyms | 4-(2-methoxyethoxy)quinoline-2-carboxylic acid,
52144-36-2,
SCHEMBL20515870,
ZINC88611643,
AKOS012679939,
MCULE-2813773431,
NE47114,
Z1768160817,
|
| Complexity | 284 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.25g/mol |
| Monoisotopic Mass | 247.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number