Home Sulfos Benzenesulfonic acid, 4-methyl-, 1-methylpropyl ester

Benzenesulfonic acid, 4-methyl-, 1-methylpropyl ester

CAS No.:
715-11-7
Catalog Number:
AG0036KK
Molecular Formula:
C11H16O3S
Molecular Weight:
228.3079
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0036KK
Chemical Name:
Benzenesulfonic acid, 4-methyl-, 1-methylpropyl ester
CAS Number:
715-11-7
Molecular Formula:
C11H16O3S
Molecular Weight:
228.3079
MDL Number:
MFCD24660588
IUPAC Name:
butan-2-yl 4-methylbenzenesulfonate
InChI:
InChI=1S/C11H16O3S/c1-4-10(3)14-15(12,13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3
InChI Key:
AYHWQTQILBGWRN-UHFFFAOYSA-N
SMILES:
CCC(OS(=O)(=O)c1ccc(cc1)C)C
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.082g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.306g/mol
Monoisotopic Mass:
228.082g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties