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54952-43-1

54952-43-1 structural image
Product Name: Shikalkin
Formula: C16H16O5
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Color/Form White or slightly yellow crystalline powder
Melting Point 147 °C
Solubility Practically insoluble in aqueous solutions
Density 1.373 g/cu cm

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Environment
GHS09
GHS Hazard Statements H302:Acute toxicity,oral
H400:Hazardous to the aquatic environment, acute hazard
Precautionary Statement Codes P273:Avoid release to the environment.

COMPUTED DESCRIPTORS

Molecular Weight 288.29 g/mol
XLogP3 3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 288.09977361 g/mol
Monoisotopic Mass 288.09977361 g/mol
Topological Polar Surface Area 94.8 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 501
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

C.I. Natural Red 20 is a naphthoquinone.