99620-41-4
Product Name:
Valeric acid, 2-(1-hydroxyethylidene)-5-mercapto-, delta-(thio lactone) (6CI)
Formula:
C7H10O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 158.22 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 158.04015073 g/mol |
| Monoisotopic Mass | 158.04015073 g/mol |
| Topological Polar Surface Area | 62.6 Ų |
| Heavy Atom Count | 10 |
| Formal Charge | 0 |
| Complexity | 184 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |