714916-09-3
Product Name:
[(2Z)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-nitrobenzoate
Formula:
C24H17NO8
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COMPUTED DESCRIPTORS
| Molecular Weight | 447.4 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 447.09541650 g/mol |
| Monoisotopic Mass | 447.09541650 g/mol |
| Topological Polar Surface Area | 117 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 769 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |