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41261-80-7

41261-80-7 structural image
Product Name: Aniline-3-beta-ethyl sulfonyl sulfate-6-sulfonic acid
Formula: C8H11NO9S3
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COMPUTED DESCRIPTORS

Molecular Weight 361.4 g/mol
XLogP3 -0.8
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 6
Exact Mass 360.95959445 g/mol
Monoisotopic Mass 360.95959445 g/mol
Topological Polar Surface Area 203 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 649
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