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Homecas898785-36-9

898785-36-9

898785-36-9 structural image
Product Name: 1-(3-CHLORO-4-PYRIDYL)-1,6-HEPTANEDIONE
Formula: C12H14ClNO2
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COMPUTED DESCRIPTORS

Molecular Weight 239.70 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 6
Exact Mass 239.0713064 g/mol
Monoisotopic Mass 239.0713064 g/mol
Topological Polar Surface Area 47 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 255
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