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72705-22-7

72705-22-7 structural image
Product Name: 3-Acetoacetylamino-4-methoxytoluene-6-sulfonic acid ammonium salt
Formula: C12H18N2O6S
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COMPUTED DESCRIPTORS

Molecular Weight 318.35 g/mol
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 4
Exact Mass 318.08855747 g/mol
Monoisotopic Mass 318.08855747 g/mol
Topological Polar Surface Area 122 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 456
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 2
Compound Is Canonicalized Yes