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100596-39-2

100596-39-2 structural image
Product Name: METHYL-3-NITRO-4-(3,5-DICARBOXYMETHYL-PHENOXY)-BENZOATE
Formula: C18H15NO9
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COMPUTED DESCRIPTORS

Molecular Weight 389.3 g/mol
XLogP3 2.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 8
Exact Mass 389.07468106 g/mol
Monoisotopic Mass 389.07468106 g/mol
Topological Polar Surface Area 134 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 578
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