| CAS Number | 948294-45-9 |
| Catalog Number | AG00IIKW(AGN-PC-0WQXH5) |
| Chemical Name | 6,7-Dimethylquinoline-2,3-dicarboxylic acid |
| IUPAC Name | 6,7-dimethylquinoline-2,3-dicarboxylic acid |
| InChI | InChI=1S/C13H11NO4/c1-6-3-8-5-9(12(15)16)11(13(17)18)14-10(8)4-7(6)2/h3-5H,1-2H3,(H,15,16)(H,17,18) |
| InChI Key | JGAHTWZHTMWMSG-UHFFFAOYSA-N |
| MDL Number | MFCD09787799 |
| Molecular Formula | C13H11NO4 |
| Molecular Weight | 245.2307 |
| SMILES | OC(=O)c1cc2cc(C)c(cc2nc1C(=O)O)C |
| Synonyms | 6,7-Dimethylquinoline-2,3-dicarboxylic acid,
948294-45-9,
DTXSID10589119,
MFCD09787799,
ZINC32099529,
AB52267,
OR307997,
DB-080105,
FT-0745912,
T6830,
6,7-Dimethylquinoline-2,3-dicarboxylic acid, AldrichCPR,
6,7-DIMETHYLQUINOLINE-2,3-DICARBOXYLICACID,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.234g/mol |
| Monoisotopic Mass | 245.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number