| CAS Number | 17245-63-5 |
| Catalog Number | AG01BUW9(AGN-PC-042YW6) |
| Chemical Name | 1,3-Dimethyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic Acid |
| IUPAC Name | 1,3-dimethyl-2-oxoimidazole-4-carboxylic acid |
| InChI | InChI=1S/C6H8N2O3/c1-7-3-4(5(9)10)8(2)6(7)11/h3H,1-2H3,(H,9,10) |
| InChI Key | KEJXACDCOMURLL-UHFFFAOYSA-N |
| MDL Number | MFCD20441356 |
| Molecular Formula | C6H8N2O3 |
| Molecular Weight | 156.1393 |
| SMILES | CN1C(=O)N(C)C(C(O)=O)=C1 |
| Synonyms | 1,3-dimethyl-2-oxo-2,3-dihydro-1H-imidazole-4-carboxylic acid,
17245-63-5,
1,3-dimethyl-2-imidazolone-4-carboxylic acid,
SCHEMBL4620955,
STL140906,
ZINC67351082,
AKOS005746712,
MCULE-8270303109,
Z2696618692,
|
| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.141g/mol |
| Monoisotopic Mass | 156.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
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Certificate of Analysis
Lot Number