124392-68-3
Product Name:
1-Benzoxepin-5(2H)-one, 3,4-dihydro-4-((4-methoxyphenyl)methylene)-6,8 ,9-trimethyl-
Formula:
C21H22O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 322.4 g/mol |
|---|---|
| XLogP3 | 4.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 322.15689456 g/mol |
| Monoisotopic Mass | 322.15689456 g/mol |
| Topological Polar Surface Area | 35.5 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 476 |
| 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 |