| CAS Number | 1512226-21-9 |
| Catalog Number | AG01DQC0(AGN-PC-0CB787) |
| Chemical Name | 2-(1-Methyl-1H-1,2,3-Triazol-4-Yl)Acetic Acid |
| IUPAC Name | 2-(1-methyltriazol-4-yl)acetic acid |
| InChI | InChI=1S/C5H7N3O2/c1-8-3-4(6-7-8)2-5(9)10/h3H,2H2,1H3,(H,9,10) |
| InChI Key | VZUKUQDSJGWMGB-UHFFFAOYSA-N |
| MDL Number | MFCD22393880 |
| Molecular Formula | C5H7N3O2 |
| Molecular Weight | 141.1280 |
| SMILES | CN1N=NC(=C1)CC(=O)O |
| Synonyms | 2-(1-Methyl-1H-1,2,3-triazol-4-yl)acetic acid,
1512226-21-9,
SCHEMBL9914065,
ZINC82838238,
|
| Complexity | 139 |
| 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 | 2 |
| Topological Polar Surface Area | 68A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number