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2089252-07-1

2089252-07-1 structural image
Product Name: Octanoic acid, 8-[(2,3-dihydroxypropyl)[8-(nonyloxy)-8-oxooctyl]amino]-, 1-octylnonyl ester
Formula: C45H89NO6
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COMPUTED DESCRIPTORS

Molecular Weight 740.2 g/mol
XLogP3 14.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 44
Exact Mass 739.66898956 g/mol
Monoisotopic Mass 739.66898956 g/mol
Topological Polar Surface Area 96.3 Ų
Heavy Atom Count 52
Formal Charge 0
Complexity 733
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