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Home Sulfos Methyl Phenylsulfonylacetate

Methyl Phenylsulfonylacetate

CAS No.:
34097-60-4
Catalog Number:
AG003S23
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$49
- +
25g
97%
In Stock USA
United States
$148
- +
100g
97%
In Stock USA
United States
$276
- +
Product Description
Catalog Number:
AG003S23
Chemical Name:
Methyl Phenylsulfonylacetate
CAS Number:
34097-60-4
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD00007555
IUPAC Name:
methyl 2-(benzenesulfonyl)acetate
InChI:
InChI=1S/C9H10O4S/c1-13-9(10)7-14(11,12)8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChI Key:
NLEAIFBNKPYTGN-UHFFFAOYSA-N
SMILES:
COC(=O)CS(=O)(=O)c1ccccc1
Properties
Complexity:
282  
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:
0
Isotope Atom Count:
0
Molecular Weight:
214.235g/mol
Monoisotopic Mass:
214.03g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Lead discovery of alpha,beta-unsaturated sulfones from a combinatorial library as inhibitors of inducible VCAM-1 expression. Bioorganic & medicinal chemistry letters 20030224
Properties