COMPUTED DESCRIPTORS
Molecular Weight | 299.32 g/mol |
---|---|
XLogP3 | 1.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Exact Mass | 299.11575802 g/mol |
Monoisotopic Mass | 299.11575802 g/mol |
Topological Polar Surface Area | 79.6 Ų |
Heavy Atom Count | 22 |
Formal Charge | 0 |
Complexity | 544 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 2 |
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
(3S,4R)-3-hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopentenyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile is a 1-benzopyran.