| CAS Number | 855165-89-8 |
| Catalog Number | AG01FOH6(AGN-PC-0WC71P) |
| Chemical Name | 6-Methyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid |
| IUPAC Name | 6-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid |
| InChI | InChI=1S/C11H11NO3/c1-6-2-3-9-7(4-6)8(11(14)15)5-10(13)12-9/h2-4,8H,5H2,1H3,(H,12,13)(H,14,15) |
| InChI Key | JFIPUEDLUPIYIA-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.2099 |
| SMILES | |
| Synonyms | 6-Methyl-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxylic acid,
855165-89-8,
ALBB-013699,
AKOS005173956,
MCULE-5970622667,
2-oxo-6-methyl-1,2,3,4-tetrahydro-quinoline-4-carboxylic,
6-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylic acid,
4-quinolinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.213g/mol |
| Monoisotopic Mass | 205.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number