| CAS Number | 1104078-88-7 |
| Catalog Number | AG01ALXU |
| Chemical Name | 2-methyl-2H-1,2,3-triazole-4-carbaldehyde |
| IUPAC Name | 2-methyltriazole-4-carbaldehyde |
| InChI | InChI=1S/C4H5N3O/c1-7-5-2-4(3-8)6-7/h2-3H,1H3 |
| InChI Key | ADIHVKJNUPTHMC-UHFFFAOYSA-N |
| MDL Number | MFCD28968295 |
| Molecular Formula | C4H5N3O |
| Molecular Weight | 111.1020 |
| SMILES | CN1N=CC(=N1)C=O |
| Synonyms | 2-methyl-2H-1,2,3-triazole-4-carbaldehyde,
1104078-88-7,
SCHEMBL14678449,
ZINC224396531,
|
| Complexity | 95.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 111.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 111.104g/mol |
| Monoisotopic Mass | 111.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number