Home Sulfos 4-Methyl-3-(methylsulfonyl)benzoic acid

4-Methyl-3-(methylsulfonyl)benzoic acid

CAS No.:
51522-22-6
Catalog Number:
AG00E1ZT
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$157
- +
1g
98%
In Stock USA
United States
$313
- +
5g
98%
In Stock USA
United States
$938
- +
25g
98%
In Stock USA
United States
$2625
- +
Product Description
Catalog Number:
AG00E1ZT
Chemical Name:
4-Methyl-3-(methylsulfonyl)benzoic acid
CAS Number:
51522-22-6
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD10032483
IUPAC Name:
4-methyl-3-methylsulfonylbenzoic acid
InChI:
InChI=1S/C9H10O4S/c1-6-3-4-7(9(10)11)5-8(6)14(2,12)13/h3-5H,1-2H3,(H,10,11)
InChI Key:
IYIOTRUPYRIVLP-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)S(=O)(=O)C)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