Benzenesulfonic acid, 4-methyl-, octadecyl ester


Chemical Name: Benzenesulfonic acid, 4-methyl-, octadecyl ester
CAS Number: 3386-32-1
Product Number: AG003U11(AGN-PC-0JO865)
Synonyms:
MDL No:
Molecular Formula: C25H44O3S
Molecular Weight: 424.68006

Identification/Properties


Properties
MP:
58℃
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
424.684g/mol
XLogP3:
10.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
19
Exact Mass:
424.301g/mol
Monoisotopic Mass:
424.301g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
447
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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