Home Sulfos Methyl 3-(methylsulfonyl)phenylacetate

Methyl 3-(methylsulfonyl)phenylacetate

CAS No.:
847150-07-6
Catalog Number:
AG004PHK
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$118
- +
5g
97%
In Stock USA
United States
$354
- +
Product Description
Catalog Number:
AG004PHK
Chemical Name:
Methyl 3-(methylsulfonyl)phenylacetate
CAS Number:
847150-07-6
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD18651686
IUPAC Name:
methyl 2-(3-methylsulfonylphenyl)acetate
InChI:
InChI=1S/C10H12O4S/c1-14-10(11)7-8-4-3-5-9(6-8)15(2,12)13/h3-6H,7H2,1-2H3
InChI Key:
PLOWZCWDZYYNNV-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1cccc(c1)S(=O)(=O)C
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.046g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.262g/mol
Monoisotopic Mass:
228.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties