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123-45-5

123-45-5 | Acetic acid, 2,2'-sulfonylbis-

CAS No: 123-45-5 Catalog No: AG000JX6 MDL No:MFCD00054503

Product Description

Catalog Number:
AG000JX6
Chemical Name:
Acetic acid, 2,2'-sulfonylbis-
CAS Number:
123-45-5
Molecular Formula:
C4H6O6S
Molecular Weight:
182.1518
MDL Number:
MFCD00054503
IUPAC Name:
2-(carboxymethylsulfonyl)acetic acid
InChI:
InChI=1S/C4H6O6S/c5-3(6)1-11(9,10)2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChI Key:
WDYRPTWUNMHTJL-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)(=O)CC(=O)O
UNII:
S6Q6X09W62
NSC Number:
93879

Properties

Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.989g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
182.146g/mol
Monoisotopic Mass:
181.989g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2  

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

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