Home Sulfos 2-Methyl-4-(methylsulfonyl)benzoic acid

2-Methyl-4-(methylsulfonyl)benzoic acid

CAS No.:
118939-09-6
Catalog Number:
AG003HMY
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$113
- +
5g
97%
In Stock USA
United States
$313
- +
10g
97%
In Stock USA
United States
$550
- +
25g
97%
In Stock USA
United States
$1188
- +
Product Description
Catalog Number:
AG003HMY
Chemical Name:
2-Methyl-4-(methylsulfonyl)benzoic acid
CAS Number:
118939-09-6
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD12828709
IUPAC Name:
2-methyl-4-methylsulfonylbenzoic acid
InChI:
InChI=1S/C9H10O4S/c1-6-5-7(14(2,12)13)3-4-8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
InChI Key:
WEKZLBGODVDBBZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1C)S(=O)(=O)C
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.03g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.235g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties