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127277-53-6

127277-53-6 structural image
Product Name: Prohexadione calcium
Formula: C10H13Ca2O5+
Synonyms: 3,5-Dioxo-4-propionyl-cyclohexanecarboxylic acid calcium salt
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White, yellow, or pale yellow-brown solid; [HSDB] Slightly beige powder; [MSDSonline]
Color/Form Fine white powder
Odor Odorless
Melting Point >360 °C
Solubility Solubility (mg/L at 20 °C): methanol 1.11; acetone 0.038; n-hexane <0.003; toluene 0.004; ethyl acetate <0.010; isopropanol <0.105; dichloromethane 0.004
Density 1.435
Vapor Pressure 0.0000001 [mmHg]
LogP log Kow = -2.90
Decomposition When heated to decomposition it emits acrid smoke and irritating vapors.
Dissociation Constants pKa1 = 5.15
Chemical Classes Pesticides -> Plant Growth Regulators

COMPUTED DESCRIPTORS

Molecular Weight 250.26 g/mol
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 1
Exact Mass 250.0154143 g/mol
Monoisotopic Mass 250.0154143 g/mol
Topological Polar Surface Area 97.3 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 327
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 2
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Prohexadione-calcium is a calcium salt containing equal numbers of prohexadione(2-) and Ca(2+) ions. A plant growth regulator, it is used as an anti-lodging agent in small-grain cereals. It has a role as a plant growth regulator, an agrochemical and a gibberellin biosynthesis inhibitor. It contains a prohexadione(2-).