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866144-50-5

866144-50-5 structural image
Product Name: DIMETHYL 2-ETHYL-2-(4-NITROPHENYL)MALONATE
Formula: C13H15NO6
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CHEMICAL AND PHYSICAL PROPERTIES

Solubility >42.2 [ug/mL] (The mean of the results at pH 7.4)

COMPUTED DESCRIPTORS

Molecular Weight 281.26 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 6
Exact Mass 281.08993720 g/mol
Monoisotopic Mass 281.08993720 g/mol
Topological Polar Surface Area 98.4 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 365
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