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303152-87-6

303152-87-6 structural image
Product Name: [3-ETHOXYCARBONYL-4,5-BIS(HYDROXYMETHYL)-4,5-DIHYDROISOXAZOLE][1-(2,6-DINITRO-4-TRIFLUOROMETHYLPHENYL)-4-PIPERIDONE]KETAL
Formula: C20H21F3N4O9
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COMPUTED DESCRIPTORS

Molecular Weight 518.4 g/mol
XLogP3 2.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 14
Rotatable Bond Count 4
Exact Mass 518.12606275 g/mol
Monoisotopic Mass 518.12606275 g/mol
Topological Polar Surface Area 161 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 874
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes