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874509-87-2

874509-87-2 structural image
Product Name: 2-[(E)-2-PHENYLETHENYL]-1,3-THIAZOLANE-4-CARBOXYLIC ACID
Formula: C12H13NO2S
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COMPUTED DESCRIPTORS

Molecular Weight 235.30 g/mol
XLogP3 -0.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 235.06669983 g/mol
Monoisotopic Mass 235.06669983 g/mol
Topological Polar Surface Area 74.6 Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 274
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes