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1540-36-9

1540-36-9 structural image
Product Name: 3-N-BUTYL-2,4-PENTANEDIONE
Formula: C9H16O2
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COMPUTED DESCRIPTORS

Molecular Weight 156.22 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 156.115029749 g/mol
Monoisotopic Mass 156.115029749 g/mol
Topological Polar Surface Area 34.1 Ų
Heavy Atom Count 11
Formal Charge 0
Complexity 136
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