935534-06-8
Product Name:
1-(3,4-Dihydro-2Hbenzo[b][1,4]dioxepin-7-yl)-2-mercapto-ethanone
Formula:
C11H12O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 224.28 g/mol |
|---|---|
| XLogP3 | 1.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 224.05071541 g/mol |
| Monoisotopic Mass | 224.05071541 g/mol |
| Topological Polar Surface Area | 36.5 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 232 |
| 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 |