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21161-11-5

21161-11-5 structural image
Product Name: 2-NITRO-ISOPHTHALIC ACID
Formula: C8H5NO6
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COMPUTED DESCRIPTORS

Molecular Weight 211.13 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 211.01168688 g/mol
Monoisotopic Mass 211.01168688 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 274
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