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3690-28-6

3690-28-6 structural image
Product Name: phenthoate oxon
Formula: C12H17O5PS
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1925

COMPUTED DESCRIPTORS

Molecular Weight 304.30 g/mol
XLogP3 2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 304.05343181 g/mol
Monoisotopic Mass 304.05343181 g/mol
Topological Polar Surface Area 87.1 Ų
Heavy Atom Count 19
Formal Charge 0
Complexity 322
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