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Home Sulfos Methyl p-toluenesulfonylacetate

Methyl p-toluenesulfonylacetate

CAS No.:
50397-64-3
Catalog Number:
AG003S2D
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$38
- +
5g
95%
In Stock USA
United States
$102
- +
25g
95%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG003S2D
Chemical Name:
Methyl p-toluenesulfonylacetate
CAS Number:
50397-64-3
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD00025885
IUPAC Name:
methyl 2-(4-methylphenyl)sulfonylacetate
InChI:
InChI=1S/C10H12O4S/c1-8-3-5-9(6-4-8)15(12,13)7-10(11)14-2/h3-6H,7H2,1-2H3
InChI Key:
JMUZMDKWJWSBCU-UHFFFAOYSA-N
SMILES:
COC(=O)CS(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
307  
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:
1.4  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Decarboxylative Claisen rearrangement reactions of allylic tosylmalonate esters. Organic letters 20050203
Properties