| CAS Number | 68984-23-6 |
| Catalog Number | AG00J2G0(AGN-PC-0WB6PQ) |
| Chemical Name | 3-(4H-1,2,4-triazol-4-yl)propanoic acid hydrochloride |
| IUPAC Name | 3-(1,2,4-triazol-4-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C5H7N3O2.ClH/c9-5(10)1-2-8-3-6-7-4-8;/h3-4H,1-2H2,(H,9,10);1H |
| InChI Key | YLPOBCGGHZECJH-UHFFFAOYSA-N |
| MDL Number | MFCD26959489 |
| Molecular Formula | C5H8ClN3O2 |
| Molecular Weight | 177.5889 |
| SMILES | N1(CCC(O)=O)C=NN=C1.Cl |
| Synonyms | 3-(4H-1,2,4-Triazol-4-yl)propanoic acid hydrochloride,
68984-23-6,
ZX-CM009532,
MFCD26959489,
AKOS027426898,
|
| Complexity | 122 |
| 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 | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number