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1000571-72-1

1000571-72-1 structural image
Product Name: 4-(4-NITRO-PHENYL)-3-OXO-BUTYRIC ACID METHYL ESTER
Formula: C11H11NO5
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COMPUTED DESCRIPTORS

Molecular Weight 237.21 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 237.06372245 g/mol
Monoisotopic Mass 237.06372245 g/mol
Topological Polar Surface Area 89.2 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 302
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