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5469-66-9

5469-66-9 structural image
Product Name: 1,3-PROPANEDIOL DI-P-TOLUENESULFONATE
Formula: C17H20O6S2
Synonyms: Trimethylene glycol di-p-tosylate
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COMPUTED DESCRIPTORS

Molecular Weight 384.5 g/mol
XLogP3 3.3
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 8
Exact Mass 384.07013070 g/mol
Monoisotopic Mass 384.07013070 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 532
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

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