| CAS Number | 1249477-24-4 |
| Catalog Number | AG01BJ36 |
| Chemical Name | 6-Ethyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid |
| IUPAC Name | 6-ethyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid |
| InChI | InChI=1S/C12H15NO3/c1-2-7-3-4-10-8(5-7)6-9(12(15)16)11(14)13-10/h6-7H,2-5H2,1H3,(H,13,14)(H,15,16) |
| InChI Key | TXWUFMDSIXFBPI-UHFFFAOYSA-N |
| MDL Number | MFCD16070478 |
| Molecular Formula | C12H15NO3 |
| Molecular Weight | 221.2524 |
| SMILES | C(C)C1CC=2C=C(C(NC2CC1)=O)C(=O)O |
| Synonyms | 1249477-24-4,
6-ethyl-2-oxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxylic acid,
AKOS010923916,
6-ethyl-2-oxo-1,2,5,6,7,8-hexahydro-quinoline-3-carboxylic acid,
|
| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.105g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.256g/mol |
| Monoisotopic Mass | 221.105g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number