56079-46-0
Product Name:
Toluene-4-sulfonic acid 1-methyl-2-propynyl ester
Formula:
C11H12O3S
Synonyms:
1-Butyn-3-yl tosylate;3-Butyn-2-ol 4-methylbenzene sulfonate;Toluene-4-sulfonic acid 1-methyl-2-propynyl ester
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COMPUTED DESCRIPTORS
| Molecular Weight | 224.28 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 224.05071541 g/mol |
| Monoisotopic Mass | 224.05071541 g/mol |
| Topological Polar Surface Area | 51.8 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 336 |
| 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 |