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331461-13-3

331461-13-3 structural image
Product Name: 4-(1,3-DITHIOLAN-2-YL)-2-METHOXY-6-NITROPHENYL 4-METHYLBENZENECARBOXYLATE
Formula: C18H17NO5S2
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COMPUTED DESCRIPTORS

Molecular Weight 391.5 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 5
Exact Mass 391.05481499 g/mol
Monoisotopic Mass 391.05481499 g/mol
Topological Polar Surface Area 132 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 500
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