| CAS Number | 82616-95-3 |
| Catalog Number | AG00J3EF(AGN-PC-0UMOQG) |
| Chemical Name | 5-methyl-1H-imidazole-4-carboxylic acid hydrochloride |
| IUPAC Name | 5-methyl-1H-imidazole-4-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C5H6N2O2.ClH/c1-3-4(5(8)9)7-2-6-3;/h2H,1H3,(H,6,7)(H,8,9);1H |
| InChI Key | KRNMSEFCRXHLRW-UHFFFAOYSA-N |
| MDL Number | MFCD28398174 |
| Molecular Formula | C5H7ClN2O2 |
| Molecular Weight | 162.5743 |
| SMILES | C1(C(O)=O)=C(C)NC=N1.Cl |
| Synonyms | 4-methyl-1H-imidazole-5-carboxylic acid hydrochloride,
5-methyl-1H-imidazole-4-carboxylic acid hydrochloride,
82616-95-3,
SCHEMBL947740,
KRNMSEFCRXHLRW-UHFFFAOYSA-N,
MFCD28398174,
AKOS026677500,
AKOS030631314,
4-methylimidazole-5-carboxylic acid hydrochloride,
5-methyl-4-imidazolecarboxylic acid hydrochloride,
5-Methylimidazole-4-carboxylic acid hydrochloride,
F1905-6585,
Z2467454493,
N/A,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.573g/mol |
| Monoisotopic Mass | 162.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number