Home Sulfos 3-Hydroxy-3-methylbutyl 4-methylbenzenesulfonate

3-Hydroxy-3-methylbutyl 4-methylbenzenesulfonate

CAS No.:
17689-66-6
Catalog Number:
AG0024Y6
Molecular Formula:
C12H18O4S
Molecular Weight:
258.3339
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$200
- +
5g
96%
In Stock USA
United States
$600
- +
10g
96%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG0024Y6
Chemical Name:
3-Hydroxy-3-methylbutyl 4-methylbenzenesulfonate
CAS Number:
17689-66-6
Molecular Formula:
C12H18O4S
Molecular Weight:
258.3339
MDL Number:
MFCD26384653
IUPAC Name:
(3-hydroxy-3-methylbutyl) 4-methylbenzenesulfonate
InChI:
InChI=1S/C12H18O4S/c1-10-4-6-11(7-5-10)17(14,15)16-9-8-12(2,3)13/h4-7,13H,8-9H2,1-3H3
InChI Key:
GGLYIKZLOPXYOV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OCCC(O)(C)C
Properties
Complexity:
321  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.093g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
258.332g/mol
Monoisotopic Mass:
258.093g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties