6338-71-2
Product Name:
(3,3,5-trimethylcyclohexyl) 2-thiocyanatoacetate
Formula:
C12H19NO2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 241.35 g/mol |
|---|---|
| XLogP3 | 3.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 241.11365002 g/mol |
| Monoisotopic Mass | 241.11365002 g/mol |
| Topological Polar Surface Area | 75.4 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 305 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |