850074-43-0
Product Name:
Benzo[b]thiophene-2,6-dicarboxylic acid 2-ethyl ester
Formula:
C12H10O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 250.27 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 250.02997997 g/mol |
| Monoisotopic Mass | 250.02997997 g/mol |
| Topological Polar Surface Area | 91.8 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 318 |
| 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 |