Home Sulfos 3-(Methylsulfonyl)phenylacetic acid

3-(Methylsulfonyl)phenylacetic acid

CAS No.:
1877-64-1
Catalog Number:
AG003JS0
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$113
- +
5g
98%
In Stock USA
United States
$307
- +
Product Description
Catalog Number:
AG003JS0
Chemical Name:
3-(Methylsulfonyl)phenylacetic acid
CAS Number:
1877-64-1
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD03426066
IUPAC Name:
2-(3-methylsulfonylphenyl)acetic acid
InChI:
InChI=1S/C9H10O4S/c1-14(12,13)8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key:
RUGDYDBEYAHJCD-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)S(=O)(=O)C
Properties
Complexity:
301  
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:
0.1  
Properties