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774-64-1

774-64-1 structural image
Product Name: 2(5H)-Furanone, 3,4-dimethyl-5-pentylidene-, (5Z)-
Formula: C11H16O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear and colourless liquid; Spicy-herbal to mint-like aroma
Boiling Point 302.00 to 303.00 °C. @ 760.00 mm Hg
Solubility Soluble in non-polar solvents; insoluble in water
Density 0.950-1.000 (20°)
Refractive Index 1.560-1.575
Kovats Retention Index 2179 2191 2179 2179 2179 2179 2179 2179 2179 2179 2179 2179 2179 2179 2179 2170 2174 2179 2163 2173

COMPUTED DESCRIPTORS

Molecular Weight 180.24 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 180.115029749 g/mol
Monoisotopic Mass 180.115029749 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 272
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes