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Home Sulfos N-(Phenylsulfonyl)glycine methyl ester

N-(Phenylsulfonyl)glycine methyl ester

CAS No.:
69398-48-7
Catalog Number:
AG003SEZ
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
10g
98%
In Stock USA
United States
$350
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003SEZ
Chemical Name:
N-(Phenylsulfonyl)glycine methyl ester
CAS Number:
69398-48-7
Molecular Formula:
C9H11NO4S
Molecular Weight:
229.2529
MDL Number:
MFCD00545497
IUPAC Name:
methyl 2-(benzenesulfonamido)acetate
InChI:
InChI=1S/C9H11NO4S/c1-14-9(11)7-10-15(12,13)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3
InChI Key:
QKASBYGZWRFVMK-UHFFFAOYSA-N
SMILES:
COC(=O)CNS(=O)(=O)c1ccccc1
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.25g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Methyl 2-(benzene-sulfonamido)acetate. Acta crystallographica. Section E, Structure reports online 20090601
Properties