| CAS Number | 2137950-53-7 |
| Catalog Number | AG01EK5S |
| Chemical Name | 1-(propan-2-yl)-1H-imidazole-2-carboxylic acid hydrochloride |
| IUPAC Name | 1-propan-2-ylimidazole-2-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C7H10N2O2.ClH/c1-5(2)9-4-3-8-6(9)7(10)11;/h3-5H,1-2H3,(H,10,11);1H |
| InChI Key | RJYOIRYCVNTOSW-UHFFFAOYSA-N |
| MDL Number | MFCD31440794 |
| Molecular Formula | C7H11ClN2O2 |
| Molecular Weight | 190.6274 |
| SMILES | Cl.CC(N1C(C(O)=O)=NC=C1)C |
| Synonyms | 1-(propan-2-yl)-1H-imidazole-2-carboxylic acid hydrochloride,
2137950-53-7,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.627g/mol |
| Monoisotopic Mass | 190.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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