| CAS Number | 1393539-81-5 |
| Catalog Number | AG01DVZZ |
| Chemical Name | 1-(2-Methylpropyl)-1H-1,2,3-triazole-4-carbaldehyde |
| IUPAC Name | 1-(2-methylpropyl)triazole-4-carbaldehyde |
| InChI | InChI=1S/C7H11N3O/c1-6(2)3-10-4-7(5-11)8-9-10/h4-6H,3H2,1-2H3 |
| InChI Key | WEEAFBUWHXMBRB-UHFFFAOYSA-N |
| MDL Number | MFCD21715273 |
| Molecular Formula | C7H11N3O |
| Molecular Weight | 153.1817 |
| SMILES | CC(CN1N=NC(C=O)=C1)C |
| Synonyms | 1-(2-methylpropyl)-1H-1,2,3-triazole-4-carbaldehyde,
1393539-81-5,
AKOS015559014,
AB76649,
1-ISOBUTYL-1H-1,2,3-TRIAZOLE-4-CARBALDEHYDE,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.185g/mol |
| Monoisotopic Mass | 153.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number