129602-93-3
Product Name:
alpha-Methyl-4-((1-methylethyl)thio)benzeneacetic acid
Formula:
C12H16O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 224.32 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 224.08710092 g/mol |
| Monoisotopic Mass | 224.08710092 g/mol |
| Topological Polar Surface Area | 62.6 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 208 |
| 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 |