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1195688-61-9

1195688-61-9 structural image
Product Name: Heptanethioic acid, 4-methyl-
Formula: C8H16OS
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COMPUTED DESCRIPTORS

Molecular Weight 160.28 g/mol
XLogP3 3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 160.09218630 g/mol
Monoisotopic Mass 160.09218630 g/mol
Topological Polar Surface Area 18.1 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 101
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes