CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 149.17 Ų [M-H]- |
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COMPUTED DESCRIPTORS
Molecular Weight | 224.21 g/mol |
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XLogP3 | 0.2 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Exact Mass | 224.06847348 g/mol |
Monoisotopic Mass | 224.06847348 g/mol |
Topological Polar Surface Area | 91.7 Ų |
Heavy Atom Count | 16 |
Formal Charge | 0 |
Complexity | 383 |
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
Trinexapac is a monocarboxylic acid that is 3,5-dioxocyclohexanecarboxylic acid substituted by a cyclopropyl(hydroxy)methylidene group at position 4. It is a metabolite of the plant growth regulator trinexapac-ethyl. It has a role as a marine xenobiotic metabolite, an agrochemical, a plant growth regulator and a gibberellin biosynthesis inhibitor. It is a member of cyclohexanones, a monocarboxylic acid, a beta-hydroxy ketone, an enol and a member of cyclopropanes.