| CAS Number | 4332-45-0 |
| Catalog Number | AG019KX2(AGN-PC-0WOA6H) |
| Chemical Name | 3-(1H-1,2,3-triazol-1-yl)propanoic acid |
| IUPAC Name | 3-(triazol-1-yl)propanoic acid |
| InChI | InChI=1S/C5H7N3O2/c9-5(10)1-3-8-4-2-6-7-8/h2,4H,1,3H2,(H,9,10) |
| InChI Key | GEQSOLQYFBOENG-UHFFFAOYSA-N |
| MDL Number | MFCD08703168 |
| Molecular Formula | C5H7N3O2 |
| Molecular Weight | 141.1280 |
| SMILES | C1=CN(N=N1)CCC(=O)O |
| Synonyms | 3-(1H-1,2,3-triazol-1-yl)propanoic acid,
4332-45-0,
AC1Q75LC,
SCHEMBL956921,
CTK7J4157,
MFCD08703168,
ZINC12505846,
AKOS006223726,
MCULE-9295640009,
NE62435,
EN300-28871,
Z235354549,
|
| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.13g/mol |
| Monoisotopic Mass | 141.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number