| CAS Number | 60093-52-9 |
| Catalog Number | AG00J15L(AGN-PC-0SURAY) |
| Chemical Name | (5-methyl-1H-imidazol-4-yl)acetic acid hydrochloride |
| IUPAC Name | 2-(5-methyl-1H-imidazol-4-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C6H8N2O2.ClH/c1-4-5(2-6(9)10)8-3-7-4;/h3H,2H2,1H3,(H,7,8)(H,9,10);1H |
| InChI Key | DADBHRWTRQHTTO-UHFFFAOYSA-N |
| MDL Number | MFCD28118581 |
| Molecular Formula | C6H9ClN2O2 |
| Molecular Weight | 176.6009 |
| SMILES | C1(=C(C)NC=N1)CC(O)=O.Cl |
| Synonyms | 60093-52-9,
(5-Methyl-1H-imidazol-4-yl)acetic acid hydrochloride,
2-(5-methyl-1H-imidazol-4-yl)acetic acid hydrochloride,
MFCD28118581,
AKOS026742679,
Z1945696029,
|
| 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 | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.6g/mol |
| Monoisotopic Mass | 176.035g/mol |
| Rotatable Bond Count | 2 |
| 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