96334-46-2
Product Name:
7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid(SALTDATA: FREE)
Formula:
C9H8O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 196.22 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 196.01941529 g/mol |
| Monoisotopic Mass | 196.01941529 g/mol |
| Topological Polar Surface Area | 82.6 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 251 |
| 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 |