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21676-90-4

21676-90-4 structural image
Product Name: METHYL 4-PHENYLTHIOPHENE-2-CARBOXYLATE
Formula: C12H10O2S
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COMPUTED DESCRIPTORS

Molecular Weight 218.27 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 218.04015073 g/mol
Monoisotopic Mass 218.04015073 g/mol
Topological Polar Surface Area 54.5 Ų
Heavy Atom Count 15
Formal Charge 0
Complexity 224
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