157397-06-3
Product Name:
2-((3,5-DI-TERT-BUTYL-4-HYDROXYPHENYL)-METHYLENE)-4-CYCLOPENTENE-1,3-DIONE
Formula:
C20H24O3
Synonyms:
2-((3,5-di- tert-Butyl-4-hydroxyphenyl)-methylene)-4-cyclopentene-1,3-dione, PKA Inhibitor XII;TX-1123 - CAS 157397-06-3 - Calbiochem
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COMPUTED DESCRIPTORS
| Molecular Weight | 312.4 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 312.17254462 g/mol |
| Monoisotopic Mass | 312.17254462 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 510 |
| 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 |