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918-00-3

918-00-3 structural image
Product Name: 1,1,1-TRICHLOROACETONE
Formula: C3H3Cl3O
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CHEMICAL AND PHYSICAL PROPERTIES

Taste Organoleptic taste in water
Boiling Point 149 °C
Solubility Very soluble in ethyl alcohol and ethyl ether
Density 1.435 g/cu cm at 20 °C
Decomposition When heated to decomposition it emits toxic fumes of /hydrogen chloride/.
Refractive Index Index of refraction: 1.4635 at 17 °C/D
Kovats Retention Index 825.2

COMPUTED DESCRIPTORS

Molecular Weight 161.41 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 0
Exact Mass 159.924948 g/mol
Monoisotopic Mass 159.924948 g/mol
Topological Polar Surface Area 17.1 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 82.7
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