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1068-47-9

1068-47-9 structural image
Product Name: 1-MERCAPTO-2-PROPANOL
Formula: C3H8OS
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 742 765 761

COMPUTED DESCRIPTORS

Molecular Weight 92.16 g/mol
XLogP3 0.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
Exact Mass 92.02958605 g/mol
Monoisotopic Mass 92.02958605 g/mol
Topological Polar Surface Area 21.2 Ų
Heavy Atom Count 5
Formal Charge 0
Complexity 22.9
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