Home Sulfos 4-Acetylbenzenesulfonic acid sodium salt

4-Acetylbenzenesulfonic acid sodium salt

CAS No.:
61827-67-6
Catalog Number:
AG003KMR
Molecular Formula:
C8H7NaO4S
Molecular Weight:
222.1936
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$59
- +
5g
98%
1 week
United States
$100
- +
25g
98%
1 week
United States
$260
- +
100g
98%
1 week
United States
$628
- +
Product Description
Catalog Number:
AG003KMR
Chemical Name:
4-Acetylbenzenesulfonic acid sodium salt
CAS Number:
61827-67-6
Molecular Formula:
C8H7NaO4S
Molecular Weight:
222.1936
MDL Number:
MFCD00007510
IUPAC Name:
sodium;4-acetylbenzenesulfonate
InChI:
InChI=1S/C8H8O4S.Na/c1-6(9)7-2-4-8(5-3-7)13(10,11)12;/h2-5H,1H3,(H,10,11,12);/q;+1/p-1
InChI Key:
PUWCULQGLSPCMQ-UHFFFAOYSA-M
SMILES:
CC(=O)c1ccc(cc1)S(=O)(=O)[O-].[Na+]
EC Number:
263-259-0
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.996g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.19g/mol
Monoisotopic Mass:
221.996g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
82.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties