| CAS Number | 122222-09-7 |
| Catalog Number | AG0016YS(AGN-PC-0WBS47) |
| Chemical Name | 1H-Imidazole-5-carboxylic acid, 1,2-dimethyl- |
| IUPAC Name | 2,3-dimethylimidazole-4-carboxylic acid |
| InChI | InChI=1S/C6H8N2O2/c1-4-7-3-5(6(9)10)8(4)2/h3H,1-2H3,(H,9,10) |
| InChI Key | GHSZJLADCHKTGG-UHFFFAOYSA-N |
| MDL Number | MFCD16659646 |
| Molecular Formula | C6H8N2O2 |
| Molecular Weight | 140.1399 |
| SMILES | C(=O)(O)c1n(C)c(nc1)C |
| Synonyms | 1,2-Dimethyl-1H-imidazole-5-carboxylic acid,
122222-09-7,
1,2-dimethylimidazole-5-carboxylic acid,
1,2-Dimethyl-1H-imidazole-5-carboxylic acid, 97%,
SCHEMBL7996974,
GHSZJLADCHKTGG-UHFFFAOYSA-N,
MFCD16659646,
ZINC40448696,
AKOS006380489,
AS-46980,
1?2-Dimethyl-1H-imidazole-5-carboxylic acid,
1H-Imidazole-5-carboxylic acid, 1,2-dimethyl-,
1,2-Dimethyl-1H-Imidazole-5-Carboxylicacid,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.142g/mol |
| Monoisotopic Mass | 140.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number