730951-32-3
Product Name:
ethyl 3-oxo-4-(1,1,3-trioxo-2,3-dihydro-1,2-benzothiazol-2-yl)butanoate
Formula:
C13H13NO6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 311.31 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 311.04635831 g/mol |
| Monoisotopic Mass | 311.04635831 g/mol |
| Topological Polar Surface Area | 106 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 550 |
| 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 |