123440-85-7
Product Name:
beta-Oxo-2-pyridinepropanoic acid 1,1-dimethylethyl ester
Formula:
C12H15NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 221.25 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 221.10519334 g/mol |
| Monoisotopic Mass | 221.10519334 g/mol |
| Topological Polar Surface Area | 56.3 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 268 |
| 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 |