| CAS Number | 1439897-77-4 |
| Catalog Number | AG01B7TN |
| Chemical Name | 1-(propan-2-yl)-1H-imidazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 1-propan-2-ylimidazole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C7H10N2O2.ClH/c1-5(2)9-3-6(7(10)11)8-4-9;/h3-5H,1-2H3,(H,10,11);1H |
| InChI Key | HGNZNCNADOLOAE-UHFFFAOYSA-N |
| MDL Number | MFCD25541773 |
| Molecular Formula | C7H11ClN2O2 |
| Molecular Weight | 190.6274 |
| SMILES | CC(C)N1C=C(C(=O)O)N=C1.Cl |
| Synonyms | 1439897-77-4,
1-Isopropyl-1H-imidazole-4-carboxylic acid hydrochloride,
1-(propan-2-yl)-1H-imidazole-4-carboxylic acid hydrochloride,
AKOS027393320,
KS-8173,
Z1982493973,
|
| 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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Certificate of Analysis
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