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Home Sulfos P-Toluenesulfonic acid n-butyl ester

P-Toluenesulfonic acid n-butyl ester

CAS No.:
778-28-9
Catalog Number:
AG003U0Z
Molecular Formula:
C11H16O3S
Molecular Weight:
228.3079
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$18
- +
5g
95%
In Stock USA
United States
$23
- +
10g
95%
In Stock USA
United States
$34
- +
25g
95%
In Stock USA
United States
$50
- +
100g
95%
In Stock USA
United States
$110
- +
500g
95%
In Stock USA
United States
$296
- +
Product Description
Catalog Number:
AG003U0Z
Chemical Name:
P-Toluenesulfonic acid n-butyl ester
CAS Number:
778-28-9
Molecular Formula:
C11H16O3S
Molecular Weight:
228.3079
MDL Number:
MFCD00027203
IUPAC Name:
butyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C11H16O3S/c1-3-4-9-14-15(12,13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChI Key:
QYJXDIUNDMRLAO-UHFFFAOYSA-N
SMILES:
CCCCOS(=O)(=O)c1ccc(cc1)C
EC Number:
212-295-5
UNII:
00XW1Q3QO1
NSC Number:
6190
Properties
Complexity:
258  
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:
5  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Unsubstituted bicyclo[1.1.0]but-2-ylcarbinyl cations. The Journal of organic chemistry 20060203
Properties