COMPUTED DESCRIPTORS
| Molecular Weight | 315.32 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 315.11067264 g/mol |
| Monoisotopic Mass | 315.11067264 g/mol |
| Topological Polar Surface Area | 82.6 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 590 |
| 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 |
PRODUCT INTRODUCTION
description
(7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl (E)-2-methylbut-2-enoate is a natural product found in Xestospongia with data available.