1956355-57-9
Product Name:
Benzenebutanoic acid, β-methyl-4-nitro-γ-oxo-, ethyl ester
Formula:
C13H15NO5
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COMPUTED DESCRIPTORS
| Molecular Weight | 265.26 g/mol |
|---|---|
| XLogP3 | 2.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 265.09502258 g/mol |
| Monoisotopic Mass | 265.09502258 g/mol |
| Topological Polar Surface Area | 89.2 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 341 |
| 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 |