2098160-95-1
Product Name:
2-Butenoic acid, 4-(6-ethoxy-3-azabicyclo[3.1.1]hept-3-yl)-4-oxo-
Formula:
C12H17NO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 239.27 g/mol |
|---|---|
| XLogP3 | 0.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 239.11575802 g/mol |
| Monoisotopic Mass | 239.11575802 g/mol |
| Topological Polar Surface Area | 66.8 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 340 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |