Home Sulfos Neopentyl benzenesulfonate

Neopentyl benzenesulfonate

CAS No.:
75620-67-6
Catalog Number:
AG003SYS
Molecular Formula:
C11H16O3S
Molecular Weight:
228.3079
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$44
- +
5g
97%
In Stock USA
United States
$163
- +
Product Description
Catalog Number:
AG003SYS
Chemical Name:
Neopentyl benzenesulfonate
CAS Number:
75620-67-6
Molecular Formula:
C11H16O3S
Molecular Weight:
228.3079
MDL Number:
MFCD06797068
IUPAC Name:
2,2-dimethylpropyl benzenesulfonate
InChI:
InChI=1S/C11H16O3S/c1-11(2,3)9-14-15(12,13)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChI Key:
UAIQNCSAQGGKRL-UHFFFAOYSA-N
SMILES:
CC(COS(=O)(=O)c1ccccc1)(C)C
Properties
Complexity:
276  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties