861524-44-9
Product Name:
Acetoacetic acid, -gamma--bromo--alpha--cyano-, ethyl ester
Formula:
C7H8BrNO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 234.05 g/mol |
|---|---|
| XLogP3 | 1.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 232.96876 g/mol |
| Monoisotopic Mass | 232.96876 g/mol |
| Topological Polar Surface Area | 67.2 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 230 |
| 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 |