743440-27-9
Product Name:
3-[(methylsulfanyl)methyl]-1-benzofuran-2-carboxylic acid
Formula:
C11H10O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 222.26 g/mol |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 222.03506535 g/mol |
| Monoisotopic Mass | 222.03506535 g/mol |
| Topological Polar Surface Area | 75.7 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 244 |
| 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 |