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Home Sulfos Phenylsulfonylacetic acid ethyl ester

Phenylsulfonylacetic acid ethyl ester

CAS No.:
7605-30-3
Catalog Number:
AG003QGN
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$32
- +
5g
95%
In Stock USA
United States
$119
- +
25g
95%
In Stock USA
United States
$488
- +
Product Description
Catalog Number:
AG003QGN
Chemical Name:
Phenylsulfonylacetic acid ethyl ester
CAS Number:
7605-30-3
Molecular Formula:
C10H12O4S
Molecular Weight:
228.2649
MDL Number:
MFCD00025041
IUPAC Name:
ethyl 2-(benzenesulfonyl)acetate
InChI:
InChI=1S/C10H12O4S/c1-2-14-10(11)8-15(12,13)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChI Key:
NJBWORPRIRNTLH-UHFFFAOYSA-N
SMILES:
CCOC(=O)CS(=O)(=O)c1ccccc1
EC Number:
231-516-6
Properties
Complexity:
296  
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:
5  
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
Properties