79900-37-1
Product Name:
Trichothec-9-en-8-one, 12,13-epoxy-4-[(1-oxo-3-phenyl-2-propenyl)oxy]-, [4β(E)]- (9CI)
Formula:
C24H26O5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 394.5 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 394.17802393 g/mol |
| Monoisotopic Mass | 394.17802393 g/mol |
| Topological Polar Surface Area | 65.1 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 793 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |