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Home Sulfos 2-(4-methoxy-3-(tosyloxy)benzylsulfonyl)acetic acid

2-(4-methoxy-3-(tosyloxy)benzylsulfonyl)acetic acid

CAS No.:
1005494-37-0
Catalog Number:
AG00961N
Molecular Formula:
C17H18O8S2
Molecular Weight:
414.4500
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$114
- +
250mg
95%
In Stock USA
United States
$221
- +
1g
95%
In Stock USA
United States
$441
- +
Product Description
Catalog Number:
AG00961N
Chemical Name:
2-(4-methoxy-3-(tosyloxy)benzylsulfonyl)acetic acid
CAS Number:
1005494-37-0
Molecular Formula:
C17H18O8S2
Molecular Weight:
414.4500
MDL Number:
MFCD31696610
IUPAC Name:
2-[[4-methoxy-3-(4-methylphenyl)sulfonyloxyphenyl]methylsulfonyl]acetic acid
InChI:
InChI=1S/C17H18O8S2/c1-12-3-6-14(7-4-12)27(22,23)25-16-9-13(5-8-15(16)24-2)10-26(20,21)11-17(18)19/h3-9H,10-11H2,1-2H3,(H,18,19)
InChI Key:
FUGNUQSWIFVNFD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OS(=O)(=O)c1ccc(cc1)C)CS(=O)(=O)CC(=O)O
Properties
Complexity:
696  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.044g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
414.443g/mol
Monoisotopic Mass:
414.044g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties