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5441-40-7

5441-40-7 structural image
Product Name: 2,5-Diaza-5-methylcycloheptanone
Formula: C6H12N2O
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COMPUTED DESCRIPTORS

Molecular Weight 128.17 g/mol
XLogP3 -0.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 128.094963011 g/mol
Monoisotopic Mass 128.094963011 g/mol
Topological Polar Surface Area 32.3 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 114
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