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36377-33-0

36377-33-0 structural image
Product Name: 12-HYDROXYSTEARIC ACID
Formula: C18H36O3
Synonyms: 12-HSA;12-Hydroxystearic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Dry Powder; Liquid; Other Solid
Color/Form Crystals from alcohol
Melting Point 82 °C
Solubility Soluble in alcohol, ether, chloroform; insoluble in water
Other Experimental Properties A C18 straight chain fatty acid with an -OH group attached to the carbon chain; combustible
Chemical Classes Other Classes -> Organic Acids

COMPUTED DESCRIPTORS

Molecular Weight 300.5 g/mol
XLogP3 6.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 16
Exact Mass 300.26644501 g/mol
Monoisotopic Mass 300.26644501 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 229
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

12-hydroxyoctadecanoic acid is a hydroxy fatty acid that is stearic acid bearing a hydroxy substituent at position 12. It has a role as a plant metabolite and a bacterial xenobiotic metabolite. It is a hydroxyoctadecanoic acid and a secondary alcohol. It is a conjugate acid of a 12-hydroxyoctadecanoate.