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Home Sulfos 4-(Methylsulfonyl)phenylacetic acid

4-(Methylsulfonyl)phenylacetic acid

CAS No.:
90536-66-6
Catalog Number:
AG0033TS
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$28
- +
25g
98%
In Stock USA
United States
$94
- +
100g
98%
In Stock USA
United States
$275
- +
Product Description
Catalog Number:
AG0033TS
Chemical Name:
4-(Methylsulfonyl)phenylacetic acid
CAS Number:
90536-66-6
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD00216495
IUPAC Name:
2-(4-methylsulfonylphenyl)acetic acid
InChI:
InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
HGGWOSYNRVOQJH-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)S(=O)(=O)C
UNII:
C39I2W89XI
Properties
Complexity:
293  
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:
3  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
[4-(Methyl-sulfon-yl)phen-yl]acetic acid. Acta crystallographica. Section E, Structure reports online 20081201
Properties