| CAS Number | 954225-73-1 |
| Catalog Number | AG019SV3(AGN-PC-0WC89P) |
| Chemical Name | 1-[(dimethylcarbamoyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid |
| IUPAC Name | 1-[2-(dimethylamino)-2-oxoethyl]-2-oxopyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H12N2O4/c1-11(2)8(13)6-12-5-3-4-7(9(12)14)10(15)16/h3-5H,6H2,1-2H3,(H,15,16) |
| InChI Key | WECXQSWIARDNCQ-UHFFFAOYSA-N |
| MDL Number | MFCD09756132 |
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.2133 |
| SMILES | CN(C(CN1C(=O)C(C(O)=O)=CC=C1)=O)C |
| Synonyms | 1-[(dimethylcarbamoyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
954225-73-1,
1-[2-(dimethylamino)-2-oxoethyl]-2-oxo-1,2-dihydropyridine-3-carboxylic acid,
ZINC19685930,
AKOS010988468,
CCG-211484,
MCULE-2432598566,
NE55832,
Z1741794478,
1-[(dimethylcarbamoyl)methyl]-2-oxopyridine-3-carboxylic acid,
1-Dimethylcarbamoylmethyl-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid,
|
| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.216g/mol |
| Monoisotopic Mass | 224.08g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 77.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number