94723-86-1
Product Name:
2-butyryl-3-hydroxy-5-thiocyclohexan-3-yl-cyclohex-2-en-1-one
Formula:
C15H22O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 282.4 g/mol |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 282.12896573 g/mol |
| Monoisotopic Mass | 282.12896573 g/mol |
| Topological Polar Surface Area | 79.7 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 380 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |