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1955523-68-8

1955523-68-8 structural image
Product Name: ethyl 2-(1,1-dioxo-1lambda6,2-benzothiazol-3-yl)acetate
Formula: C11H11NO4S
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COMPUTED DESCRIPTORS

Molecular Weight 253.28 g/mol
XLogP3 1.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 253.04087901 g/mol
Monoisotopic Mass 253.04087901 g/mol
Topological Polar Surface Area 81.2 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 435
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