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Home Sulfos 4-(Methanesulfonylmethyl)benzoic acid

4-(Methanesulfonylmethyl)benzoic acid

CAS No.:
199535-00-7
Catalog Number:
AG00BIF1
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$125
- +
1g
98%
In Stock USA
United States
$300
- +
5g
98%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG00BIF1
Chemical Name:
4-(Methanesulfonylmethyl)benzoic acid
CAS Number:
199535-00-7
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD06384990
IUPAC Name:
4-(methylsulfonylmethyl)benzoic acid
InChI:
InChI=1S/C9H10O4S/c1-14(12,13)6-7-2-4-8(5-3-7)9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
HPGPGXQMPNJNPV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)CS(=O)(=O)C
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  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design. Journal of medicinal chemistry 19971205
Properties