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339016-61-4

339016-61-4 structural image
Product Name: 2-(2-THIENYL)-2-BUTENEDIOIC ACID
Formula: C8H6O4S
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COMPUTED DESCRIPTORS

Molecular Weight 198.20 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 197.99867984 g/mol
Monoisotopic Mass 197.99867984 g/mol
Topological Polar Surface Area 103 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 259
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes