959239-60-2
Product Name:
3-METHYL-1-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-1-BUTANONE
Formula:
C8H13N3O
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COMPUTED DESCRIPTORS
| Molecular Weight | 167.21 g/mol |
|---|---|
| XLogP3 | 1.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 167.105862047 g/mol |
| Monoisotopic Mass | 167.105862047 g/mol |
| Topological Polar Surface Area | 47.8 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 170 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |