| CAS Number | 2137687-64-8 |
| Catalog Number | AG01EK52 |
| Chemical Name | 2-(1-methyl-1H-1,2,3-triazol-4-yl)acetic acid hydrochloride |
| IUPAC Name | 2-(1-methyltriazol-4-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C5H7N3O2.ClH/c1-8-3-4(6-7-8)2-5(9)10;/h3H,2H2,1H3,(H,9,10);1H |
| InChI Key | UENARMVLEALBCD-UHFFFAOYSA-N |
| MDL Number | MFCD31558645 |
| Molecular Formula | C5H8ClN3O2 |
| Molecular Weight | 177.5889 |
| SMILES | Cl.CN1N=NC(CC(O)=O)=C1 |
| Synonyms | 2-(1-methyl-1H-1,2,3-triazol-4-yl)acetic acid hydrochloride,
2137687-64-8,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.588g/mol |
| Monoisotopic Mass | 177.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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