Benzenesulfonic acid, 4-methyl-, propyl ester


Chemical Name: Benzenesulfonic acid, 4-methyl-, propyl ester
CAS Number: 599-91-7
Product Number: AG003TZY(AGN-PC-03D6DT)
Synonyms:
MDL No:
Molecular Formula: C10H14O3S
Molecular Weight: 214.2814

Identification/Properties


Properties
BP:
320.8°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
1.5065-1.5085
Computed Properties
Molecular Weight:
214.279g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
214.066g/mol
Monoisotopic Mass:
214.066g/mol
Topological Polar Surface Area:
51.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
245
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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