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100719-44-6

100719-44-6 structural image
Product Name: METHYL 2-METHOXYCARBONYL-3-(4-METHOXYPHENYL)-4-NITROBUTANOATE
Formula: C14H17NO7
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COMPUTED DESCRIPTORS

Molecular Weight 311.29 g/mol
XLogP3 1.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 8
Exact Mass 311.10050188 g/mol
Monoisotopic Mass 311.10050188 g/mol
Topological Polar Surface Area 108 Ų
Heavy Atom Count 22
Formal Charge 0
Complexity 383
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes