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20291-61-6

20291-61-6 structural image
Product Name: N-HEPTYL METHYL SULFIDE
Formula: C8H18S
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1117.9

COMPUTED DESCRIPTORS

Molecular Weight 146.30 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 6
Exact Mass 146.11292175 g/mol
Monoisotopic Mass 146.11292175 g/mol
Topological Polar Surface Area 25.3 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 43.8
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