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886504-01-4

886504-01-4 structural image
Product Name: 3-HYDROXY-2,4-DIMETHOXY-6-NITRO-BENZALDEHYDE
Formula: C9H9NO6
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COMPUTED DESCRIPTORS

Molecular Weight 227.17 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 3
Exact Mass 227.04298701 g/mol
Monoisotopic Mass 227.04298701 g/mol
Topological Polar Surface Area 102 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 265
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