| CAS Number | 1820684-42-1 |
| Catalog Number | AG01AMSU |
| Chemical Name | 2,5-dimethyl-1H-imidazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 2,5-dimethyl-1H-imidazole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C6H8N2O2.ClH/c1-3-5(6(9)10)8-4(2)7-3;/h1-2H3,(H,7,8)(H,9,10);1H |
| InChI Key | LTWUZQGECHXBBQ-UHFFFAOYSA-N |
| MDL Number | MFCD29034002 |
| Molecular Formula | C6H9ClN2O2 |
| Molecular Weight | 176.6009 |
| SMILES | Cl.CC1NC(C)=C(C(O)=O)N=1 |
| Synonyms | 2,5-dimethyl-1H-imidazole-4-carboxylic acid hydrochloride,
1820684-42-1,
2,4-Dimethyl-1H-imidazole-5-carboxylic acid hydrochloride,
MFCD28505158,
Z2230911407,
84255-24-3,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.6g/mol |
| Monoisotopic Mass | 176.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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