2123485-87-8
Product Name:
Propanedinitrile, 2-[3-cyano-4-[2-(7-hydroxy-2-oxo-2H-1-benzopyran-3-yl)ethenyl]-5,5-dimethyl-2(5H)-furanylidene]-
Formula:
C21H13N3O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 371.3 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 371.09060590 g/mol |
| Monoisotopic Mass | 371.09060590 g/mol |
| Topological Polar Surface Area | 127 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 982 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |