440096-67-3
Product Name:
3-acetyl-4-hydroxy-1-(hydroxymethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
Formula:
C12H12N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 248.23 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 248.07970687 g/mol |
| Monoisotopic Mass | 248.07970687 g/mol |
| Topological Polar Surface Area | 90.7 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 405 |
| 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 |