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134998-72-4

134998-72-4 structural image
Product Name: MONO-(2-ETHYL-5-OXOHEXYL)-ADIPATE
Formula: C14H24O5
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CHEMICAL AND PHYSICAL PROPERTIES

Collision Cross Section 165.91 Ų [M+Na]+ 165.29 Ų [M-H]-

COMPUTED DESCRIPTORS

Molecular Weight 272.34 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 12
Exact Mass 272.16237386 g/mol
Monoisotopic Mass 272.16237386 g/mol
Topological Polar Surface Area 80.7 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 298
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

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