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82469-79-2

82469-79-2 structural image
Product Name: n-Butyryl tri-n-hexyl citrate
Formula: C28H50O8
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Collision Cross Section 348.02 Ų [2M+Na]+ 240.45 Ų [M+H]+ 245.25 Ų [M+Na]+

COMPUTED DESCRIPTORS

Molecular Weight 514.7 g/mol
XLogP3 7.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 27
Exact Mass 514.35056855 g/mol
Monoisotopic Mass 514.35056855 g/mol
Topological Polar Surface Area 105 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 589
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