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175202-42-3

175202-42-3 structural image
Product Name: METHYL 6,6-DIMETHYL-4-OXO-3-(PROPYLTHIO)-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBOXYLATE
Formula: C15H20O3S2
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COMPUTED DESCRIPTORS

Molecular Weight 312.5 g/mol
XLogP3 4.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 5
Exact Mass 312.08538684 g/mol
Monoisotopic Mass 312.08538684 g/mol
Topological Polar Surface Area 96.9 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 395
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