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41051-21-2

41051-21-2 structural image
Product Name: N-OCTYL 4-CHLOROACETOACETATE
Formula: C12H21ClO3
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COMPUTED DESCRIPTORS

Molecular Weight 248.74 g/mol
XLogP3 4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 11
Exact Mass 248.1179222 g/mol
Monoisotopic Mass 248.1179222 g/mol
Topological Polar Surface Area 43.4 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 204
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