| CAS Number | 860751-24-2 |
| Catalog Number | AG01AMY8 |
| Chemical Name | 1-ethyl-1H-1,2,3-triazole-5-carboxylic acid |
| IUPAC Name | 3-ethyltriazole-4-carboxylic acid |
| InChI | InChI=1S/C5H7N3O2/c1-2-8-4(5(9)10)3-6-7-8/h3H,2H2,1H3,(H,9,10) |
| InChI Key | KLIQDQLAROMEIO-UHFFFAOYSA-N |
| MDL Number | MFCD19230015 |
| Molecular Formula | C5H7N3O2 |
| Molecular Weight | 141.1280 |
| SMILES | CCN1C(C(O)=O)=CN=N1 |
| Synonyms | 1-ETHYL-1H-1,2,3-TRIAZOLE-5-CARBOXYLIC ACID,
860751-24-2,
ZINC20438778,
AKOS006377126,
AB76279,
Z2218554991,
|
| 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 | -0.2 |
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Certificate of Analysis
Lot Number