14174-93-7
Product Name:
(3Z)-3-(ethoxy-hydroxy-methylidene)isoquinoline-1,4-dione
Formula:
C12H11NO4
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COMPUTED DESCRIPTORS
| Molecular Weight | 233.22 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 233.06880783 g/mol |
| Monoisotopic Mass | 233.06880783 g/mol |
| Topological Polar Surface Area | 75.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 375 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |