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94935-85-0

94935-85-0 structural image
Product Name: 2-Butenoic acid, 4-(4,4-dimethyl-5-oxo-2-phenyl-1-pyrazolidinyl)-4-oxo-
Formula: C15H16N2O4
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COMPUTED DESCRIPTORS

Molecular Weight 288.30 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 288.11100700 g/mol
Monoisotopic Mass 288.11100700 g/mol
Topological Polar Surface Area 77.9 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 478
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 1
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes