COMPUTED DESCRIPTORS
Molecular Weight | 146.14 g/mol |
---|---|
XLogP3 | 1.9 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 0 |
Exact Mass | 146.036779430 g/mol |
Monoisotopic Mass | 146.036779430 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 196 |
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
Isocoumarin is the simplest member of the class of isocoumarins that is 1H-isochromene which is substituted by an oxo group at position 1. It derives from a hydride of a 1H-isochromene.