| CAS Number | 1909312-88-4 |
| Catalog Number | AG01AN6L |
| Chemical Name | 2-ethyl-2H-1,2,3-triazole-4-carbaldehyde |
| IUPAC Name | 2-ethyltriazole-4-carbaldehyde |
| InChI | InChI=1S/C5H7N3O/c1-2-8-6-3-5(4-9)7-8/h3-4H,2H2,1H3 |
| InChI Key | SAKVASCVYNKXBY-UHFFFAOYSA-N |
| MDL Number | MFCD29054848 |
| Molecular Formula | C5H7N3O |
| Molecular Weight | 125.1286 |
| SMILES | CCN1N=C(C=O)C=N1 |
| Synonyms | 2-ethyl-2H-1,2,3-triazole-4-carbaldehyde,
1909312-88-4,
ZINC299805520,
|
| Complexity | 106 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.131g/mol |
| Monoisotopic Mass | 125.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number