| CAS Number | 1071661-55-6 |
| Catalog Number | AG01AF6P(AGN-PC-0WO5QY) |
| Chemical Name | 2-(1-Methyl-1H-imidazol-5-yl)acetic acid hydrochloride |
| IUPAC Name | 2-(3-methylimidazol-4-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C6H8N2O2.ClH/c1-8-4-7-3-5(8)2-6(9)10;/h3-4H,2H2,1H3,(H,9,10);1H |
| InChI Key | BMKRZGIAUKYDQE-UHFFFAOYSA-N |
| MDL Number | MFCD27500744 |
| Molecular Formula | C6H9ClN2O2 |
| Molecular Weight | 176.6009 |
| SMILES | Cl.CN1C=NC=C1CC(=O)O |
| Synonyms | 2-(1-methyl-1H-imidazol-5-yl)acetic acid hydrochloride,
1071661-55-6,
SCHEMBL6775586,
AKOS026727968,
MCULE-7833091626,
NE36269,
Z1741785912,
(3-Methyl-3H-imidazol-4-yl)-acetic acid,
N/A,
|
| Complexity | 138 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.6g/mol |
| Monoisotopic Mass | 176.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number