| CAS Number | 17245-61-3 |
| Catalog Number | AG007VVG(AGN-PC-0AMC02) |
| Chemical Name | 1-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid |
| IUPAC Name | 3-methyl-2-oxo-1H-imidazole-5-carboxylic acid |
| InChI | InChI=1S/C5H6N2O3/c1-7-2-3(4(8)9)6-5(7)10/h2H,1H3,(H,6,10)(H,8,9) |
| InChI Key | QMLSYUCAVAOMNN-UHFFFAOYSA-N |
| MDL Number | MFCD19228940 |
| Molecular Formula | C5H6N2O3 |
| Molecular Weight | 142.1127 |
| SMILES | CN1C(=O)NC(C(O)=O)=C1 |
| Synonyms | 17245-61-3,
1-Methyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid,
1H-Imidazole-4-carboxylic acid, 2,3-dihydro-1-methyl-2-oxo-,
CTK0A7879,
DTXSID90717675,
MFCD19228940,
ZINC20439268,
AKOS006380175,
Z2379802743,
1H-Imidazole-4-carboxylic acid, 2,3-dihydro-1-methyl-2-ox,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.114g/mol |
| Monoisotopic Mass | 142.038g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number