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2036272-95-2

2036272-95-2 structural image
Product Name: Decanoic acid, 2-hexyl-, 1,1'-[[(3-hydroxypropyl)imino]di-6,1-hexanediyl] ester
Formula: C47H93NO5
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COMPUTED DESCRIPTORS

Molecular Weight 752.2 g/mol
XLogP3 16.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 45
Exact Mass 751.70537507 g/mol
Monoisotopic Mass 751.70537507 g/mol
Topological Polar Surface Area 76.1 Ų
Heavy Atom Count 53
Formal Charge 0
Complexity 703
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes