253595-60-7
Product Name:
Benzoic acid, 2-mercapto-3-methyl-, methyl ester
Formula:
C9H10O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 182.24 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 182.04015073 g/mol |
| Monoisotopic Mass | 182.04015073 g/mol |
| Topological Polar Surface Area | 27.3 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 170 |
| 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 |