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451460-32-5

451460-32-5 structural image
Product Name: 2-(4-HYDROXY-BUTYL)-4-NITRO-ISOINDOLE-1,3-DIONE
Formula: C12H12N2O5
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COMPUTED DESCRIPTORS

Molecular Weight 264.23 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 264.07462149 g/mol
Monoisotopic Mass 264.07462149 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 392
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