| CAS Number | 1249563-59-4 |
| Catalog Number | AG019YFH |
| Chemical Name | 1,2-Dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid |
| IUPAC Name | 1,2-dimethyl-3-oxo-2,4-dihydroquinoxaline-6-carboxylic acid |
| InChI | InChI=1S/C11H12N2O3/c1-6-10(14)12-8-5-7(11(15)16)3-4-9(8)13(6)2/h3-6H,1-2H3,(H,12,14)(H,15,16) |
| InChI Key | VKXLCBOIMMOFDA-UHFFFAOYSA-N |
| MDL Number | MFCD16828710 |
| Molecular Formula | C11H12N2O3 |
| Molecular Weight | 220.2246 |
| SMILES | CC1C(=O)NC2=C(C=CC(C(O)=O)=C2)N1C |
| Synonyms | 1,2-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxylic acid,
1249563-59-4,
AKOS011933148,
MCULE-4293304519,
NE26590,
Z1374884721,
|
| Complexity | 318 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.228g/mol |
| Monoisotopic Mass | 220.085g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number