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896447-13-5

896447-13-5 structural image
Product Name: HEXANAL HEXYL ISOAMYL ACETAL
Formula: C17H36O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear, colourless liquid; Sweet, green aroma
Solubility Insoluble in water; soluble in organic solvents
Density 0.835-0.840
Refractive Index 1.427-1.432

COMPUTED DESCRIPTORS

Molecular Weight 272.5 g/mol
XLogP3 6.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 14
Exact Mass 272.271530387 g/mol
Monoisotopic Mass 272.271530387 g/mol
Topological Polar Surface Area 18.5 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 169
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