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110683-75-5

110683-75-5 structural image
Product Name: ETHYL 8-NITRO-4-OXO-4H-BENZOPYRAN-2-CARBOXYLATE(WXG00428)
Formula: C12H9NO6
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COMPUTED DESCRIPTORS

Molecular Weight 263.20 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 263.04298701 g/mol
Monoisotopic Mass 263.04298701 g/mol
Topological Polar Surface Area 98.4 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 438
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