887594-38-9
Product Name:
ACETIC ACID 4-HYDROXY-2-METHYL-5-((E)-NONADEC-14-ENYL)-3,6-DIOXO-CYCLOHEXA-1,4-DIENYL ESTER
Formula:
C28H44O5
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COMPUTED DESCRIPTORS
| Molecular Weight | 460.6 g/mol |
|---|---|
| XLogP3 | 9.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 19 |
| Exact Mass | 460.31887450 g/mol |
| Monoisotopic Mass | 460.31887450 g/mol |
| Topological Polar Surface Area | 80.7 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 727 |
| 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 |