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83-28-3

83-28-3 structural image
Product Name: 2-ISOVALERYL-1,3-INDANEDIONE
Formula: C14H14O3
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Yellow solid; [Merck Index] Yellow crystalline solid; [MSDSonline]
Color/Form Yellow, crystalline solid.
Melting Point 68-69 °C
Solubility Insoluble in water; soluble in common organic solvents.
Vapor Pressure 0.00000688 [mmHg]
Chemical Classes Pesticides -> Rodenticides, Anticoagulant

COMPUTED DESCRIPTORS

Molecular Weight 230.26 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 230.094294304 g/mol
Monoisotopic Mass 230.094294304 g/mol
Topological Polar Surface Area 51.2 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 333
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