89295-34-1
Product Name:
2-Propenoic acid, 2-[[(4-methylphenyl)thio]methyl]-, methyl ester
Formula:
C12H14O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 222.31 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 222.07145086 g/mol |
| Monoisotopic Mass | 222.07145086 g/mol |
| Topological Polar Surface Area | 51.6 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 230 |
| 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 |