1324064-34-7
Product Name:
ethyl 3-[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-3-thiophen-2-ylpropanoate
Formula:
C15H16O6S
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COMPUTED DESCRIPTORS
| Molecular Weight | 324.4 g/mol |
|---|---|
| XLogP3 | 0.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 324.06675940 g/mol |
| Monoisotopic Mass | 324.06675940 g/mol |
| Topological Polar Surface Area | 121 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 510 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |