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22857-30-3

22857-30-3 structural image
Product Name: 1-(4-NITRO-PHENYL)-PENTAN-1-ONE
Formula: C11H13NO3
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COMPUTED DESCRIPTORS

Molecular Weight 207.23 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 4
Exact Mass 207.08954328 g/mol
Monoisotopic Mass 207.08954328 g/mol
Topological Polar Surface Area 62.9 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 227
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