| CAS Number | 1803585-55-8 |
| Catalog Number | AG01AM4T |
| Chemical Name | 1-(2-methyl-2H-1,2,3-triazol-4-yl)ethan-1-one |
| IUPAC Name | 1-(2-methyltriazol-4-yl)ethanone |
| InChI | InChI=1S/C5H7N3O/c1-4(9)5-3-6-8(2)7-5/h3H,1-2H3 |
| InChI Key | WJHNNLUQWDZDSP-UHFFFAOYSA-N |
| MDL Number | MFCD28968360 |
| Molecular Formula | C5H7N3O |
| Molecular Weight | 125.1286 |
| SMILES | CC(C1=NN(C)N=C1)=O |
| Synonyms | 1803585-55-8,
ZINC225902558,
1-(2-Methyl-2H-1,2,3-triazol-4-yl)ethan-1-one,
|
| Complexity | 125 |
| 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 | 1 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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Certificate of Analysis
Lot Number