COMPUTED DESCRIPTORS
| Molecular Weight | 413.2 g/mol |
|---|---|
| XLogP3 | 5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 2 |
| Exact Mass | 412.0116582 g/mol |
| Monoisotopic Mass | 412.0116582 g/mol |
| Topological Polar Surface Area | 102 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 602 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
8,10-dichloro-3,9-dihydroxy-1,4,7-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester is a carbonyl compound.