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822-82-2

822-82-2 structural image
Product Name: 4-Carboxyisothiazole
Formula: C4H3NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 129.14 g/mol
XLogP3 0.5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 1
Exact Mass 128.98844951 g/mol
Monoisotopic Mass 128.98844951 g/mol
Topological Polar Surface Area 78.4 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 106
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