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253596-70-2

253596-70-2 structural image
Product Name: HEPT-2-EN-1-YLISOVALERATE
Formula: C12H22O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Colourless liquid; Sweet green aroma
Solubility Practically insoluble to insoluble in water; soluble in non-polar solvents
Density 0.868-0.873
Refractive Index 1.443-1.449

COMPUTED DESCRIPTORS

Molecular Weight 198.30 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 8
Exact Mass 198.161979940 g/mol
Monoisotopic Mass 198.161979940 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 171
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes