1,3-Propanediol, bis(4-methylbenzenesulfonate)


Chemical Name: 1,3-Propanediol, bis(4-methylbenzenesulfonate)
CAS Number: 5469-66-9
Product Number: AG003B0C(AGN-PC-0SHTFO)
Synonyms:
MDL No:
Molecular Formula: C17H20O6S2
Molecular Weight: 384.4671

Identification/Properties


Properties
MP:
90-92 °C(lit.)
BP:
563.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
384.461g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
8
Exact Mass:
384.07g/mol
Monoisotopic Mass:
384.07g/mol
Topological Polar Surface Area:
104A^2
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

Safety Information


NMR Spectrum


Other Analytical Data


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