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Home Sulfos 2,4-Dimethylbenzenesulfonic acid

2,4-Dimethylbenzenesulfonic acid

CAS No.:
88-61-9
Catalog Number:
AG004A5Y
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(HPLC)
In Stock USA
United States
$46
- +
25g
98%(HPLC)
In Stock USA
United States
$85
- +
100g
98%(HPLC)
In Stock USA
United States
$149
- +
500g
98%(HPLC)
In Stock USA
United States
$240
- +
Product Description
Catalog Number:
AG004A5Y
Chemical Name:
2,4-Dimethylbenzenesulfonic acid
CAS Number:
88-61-9
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
MDL Number:
MFCD12407222
IUPAC Name:
2,4-dimethylbenzenesulfonic acid
InChI:
InChI=1S/C8H10O3S/c1-6-3-4-8(7(2)5-6)12(9,10)11/h3-5H,1-2H3,(H,9,10,11)
InChI Key:
CHZLVSBMXZSPNN-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)S(=O)(=O)O
EC Number:
201-843-9
UNII:
NMK3P488V0
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.225g/mol
Monoisotopic Mass:
186.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
The formation of malodorous dimethyl oligosulphides in treated groundwater: the role of biofilms and potential precursors. Water research 20010501
Properties