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172516-42-6

172516-42-6 structural image
Product Name: METHYL 3-(ETHYLTHIO)-6,6-DIMETHYL-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
Formula: C14H18O3S2
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COMPUTED DESCRIPTORS

Molecular Weight 298.4 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 298.06973678 g/mol
Monoisotopic Mass 298.06973678 g/mol
Topological Polar Surface Area 96.9 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 381
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