COMPUTED DESCRIPTORS
| Molecular Weight | 551.5 g/mol |
|---|---|
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 10 |
| Exact Mass | 551.20027549 g/mol |
| Monoisotopic Mass | 551.20027549 g/mol |
| Topological Polar Surface Area | 197 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 918 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Simmondsin 2'-ferulate is a hydroxycinnamic acid.