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75227-18-8

75227-18-8 structural image
Product Name: ETHYL 4-(3-NITROPHENYL)-4-OXOBUTYRATE
Formula: C12H13NO5
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COMPUTED DESCRIPTORS

Molecular Weight 251.23 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 6
Exact Mass 251.07937252 g/mol
Monoisotopic Mass 251.07937252 g/mol
Topological Polar Surface Area 89.2 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 323
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