| CAS Number | 1372713-62-6 |
| Catalog Number | AG01BBV0 |
| Chemical Name | 2-Ethyl-2H-1,2,3-triazole-4-carboxylic acid |
| IUPAC Name | 2-ethyltriazole-4-carboxylic acid |
| InChI | InChI=1S/C5H7N3O2/c1-2-8-6-3-4(7-8)5(9)10/h3H,2H2,1H3,(H,9,10) |
| InChI Key | FEUUHWYUKDPCKU-UHFFFAOYSA-N |
| MDL Number | MFCD29033787 |
| Molecular Formula | C5H7N3O2 |
| Molecular Weight | 141.1280 |
| SMILES | CCN1N=C(C(O)=O)C=N1 |
| Synonyms | 2-ethyl-2H-1,2,3-triazole-4-carboxylic acid,
1372713-62-6,
AKOS023876326,
ZINC218553550,
Z2216711606,
|
| 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 | 0.4 |
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Certificate of Analysis
Lot Number