| CAS Number | 1864058-47-8 |
| Catalog Number | AG01C19L |
| Chemical Name | tert-butyl 2-(4-acetyl-1H-1,2,3-triazol-1-yl)acetate |
| IUPAC Name | tert-butyl 2-(4-acetyltriazol-1-yl)acetate |
| InChI | InChI=1S/C10H15N3O3/c1-7(14)8-5-13(12-11-8)6-9(15)16-10(2,3)4/h5H,6H2,1-4H3 |
| InChI Key | XOCUBGYORRSZJU-UHFFFAOYSA-N |
| MDL Number | MFCD29041330 |
| Molecular Formula | C10H15N3O3 |
| Molecular Weight | 225.2444 |
| SMILES | CC(C1N=NN(CC(OC(C)(C)C)=O)C=1)=O |
| Synonyms | 1864058-47-8,
tert-butyl 2-(4-acetyl-1H-1,2,3-triazol-1-yl)acetate,
AKOS033816374,
ZINC238856891,
Z2235803084,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.248g/mol |
| Monoisotopic Mass | 225.111g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 74.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number