1969288-73-0
Product Name:
rac-(2R,3S)-4-ethyl-3-(1-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-2-carboxylic acid, trans
Formula:
C11H15N3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 253.25 g/mol |
|---|---|
| XLogP3 | -0.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 253.10625597 g/mol |
| Monoisotopic Mass | 253.10625597 g/mol |
| Topological Polar Surface Area | 84.7 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 349 |
| 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 |