956764-31-1
Product Name:
methyl 5-(4-iodophenyl)-4,6-dioxo-3a,6a-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylate
Formula:
C13H10IN3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 399.14 g/mol |
|---|---|
| XLogP3 | 1.7 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 398.97160 g/mol |
| Monoisotopic Mass | 398.97160 g/mol |
| Topological Polar Surface Area | 88.1 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 528 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |