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172516-41-5

172516-41-5 structural image
Product Name: 6,6-Dimethyl-3-(methylthio)-4,5,6,7-tetrahydrobenzo[c]thiophen-4-oxo-1-carboxylic acid, tech.
Formula: C12H14O3S2
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COMPUTED DESCRIPTORS

Molecular Weight 270.4 g/mol
XLogP3 3.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 270.03843665 g/mol
Monoisotopic Mass 270.03843665 g/mol
Topological Polar Surface Area 108 Ų
Heavy Atom Count 17
Formal Charge 0
Complexity 354
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

PRODUCT INTRODUCTION

description

6,6-dimethyl-3-(methylthio)-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid is a thiophenecarboxylic acid.