Benzenesulfonic acid, 4-methyl-, 2-methylpropyl ester


Chemical Name: Benzenesulfonic acid, 4-methyl-, 2-methylpropyl ester
CAS Number: 4873-56-7
Product Number: AG003R2V(AGN-PC-0JOSH8)
Synonyms:
MDL No:
Molecular Formula: C11H16O3S
Molecular Weight: 228.30794

Identification/Properties


Properties
Storage:
Room Temperature;Inert atmosphere;
Computed Properties
Molecular Weight:
228.306g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
228.082g/mol
Monoisotopic Mass:
228.082g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
269
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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