| CAS Number | 1185297-13-5 |
| Catalog Number | AG009A7O(AGN-PC-0WNL3G) |
| Chemical Name | 2-(1H-1,2,4-triazol-1-yl)propanoic acid hydrochloride |
| IUPAC Name | 2-(1,2,4-triazol-1-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C5H7N3O2.ClH/c1-4(5(9)10)8-3-6-2-7-8;/h2-4H,1H3,(H,9,10);1H |
| InChI Key | SARYQFBPYCQDCA-UHFFFAOYSA-N |
| MDL Number | MFCD06801318 |
| Molecular Formula | C5H8ClN3O2 |
| Molecular Weight | 177.5889 |
| SMILES | Cl.CC(N1N=CN=C1)C(O)=O |
| Synonyms | 1185297-13-5,
2-[1,2,4]Triazol-1-yl-propionic acidhydrochloride,
2-(1H-1,2,4-triazol-1-yl)propanoic acid hydrochloride,
2-[1,2,4]Triazol-1-yl-propionic acid hydrochloride,
CTK6A9731,
0284AD,
AKOS015849341,
NE13451,
TR-043495,
2-(1,2,4-triazol-1-yl)propanoic acid hydrochloride,
C5H8ClN3O2,
|
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number