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104273-73-6

104273-73-6 structural image
Product Name: TRINEXAPAC-ETHYL
Formula: C11H12O5
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 149.17 Ų [M-H]-

COMPUTED DESCRIPTORS

Molecular Weight 224.21 g/mol
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.