86617-08-5
Product Name:
1,3-Benzodioxan-2-carboxylic acid, 6-chloro-4-methyl-4-(2-thienyl)-, m ethyl ester, (E)-
Formula:
C15H13ClO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 324.8 g/mol |
|---|---|
| XLogP3 | 3.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 324.0223078 g/mol |
| Monoisotopic Mass | 324.0223078 g/mol |
| Topological Polar Surface Area | 73 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 407 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |