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53054-76-5,MFCD00006452
Catalog No.:AA003LXQ

53054-76-5 | 4-Pyridineethanesulfonic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$27.00   $19.00
- +
5g
98%
in stock  
$51.00   $36.00
- +
25g
>98.0%(T)
in stock  
$99.00   $69.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003LXQ
Chemical Name:
4-Pyridineethanesulfonic acid
CAS Number:
53054-76-5
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD00006452
SMILES:
OS(=O)(=O)CCc1ccncc1
NSC Number:
87853
Properties
Properties
 
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
213  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0  

Downstream Synthesis Route

[1]CurrentPatentAssignee:SCHROEDINGERLLC;ANNAPURNABIO-WO2019/169193,2019,A1Locationinpatent:Page/Pagecolumn144

[2]Doering;Weil[JournaloftheAmericanChemicalSociety,1947,vol.69,p.2461,2464]

[3]CurrentPatentAssignee:REILLYTARCHEM-US2508904,1947,A

[1]Eikher-Lorka,O.S.;Kupiatis,G.-K.K.[ChemistryofHeterocyclicCompounds,1986,vol.22,#10,p.1099-1104][KhimiyaGeterotsiklicheskikhSoedinenii,1986,vol.22,#10,p.1357-1362]

[1]Eikher-Lorka,O.S.;Kupiatis,G.-K.K.[ChemistryofHeterocyclicCompounds,1986,vol.22,#10,p.1099-1104][KhimiyaGeterotsiklicheskikhSoedinenii,1986,vol.22,#10,p.1357-1362]

100-43-6    7732-18-5   
sodiumhydrogensulfite 
  53054-76-5 

[1]Doering;Weil[JournaloftheAmericanChemicalSociety,1947,vol.69,p.2461,2464]

Literature
Quotation Request
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SDS
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Historical Records
1982-49-6

1982-49-6

 868218-21-7

868218-21-7

 848931-76-0

848931-76-0

 845802-65-5

845802-65-5
Tags:53054-76-5 Molecular Formula|53054-76-5 MDL|53054-76-5 SMILES|53054-76-5 4-Pyridineethanesulfonic acid
Catalog No.: AA003LXQ
53054-76-5,MFCD00006452
53054-76-5 | 4-Pyridineethanesulfonic acid
Pack Size： 1g
Purity： 98%
in stock
$27.00 $19.00
Pack Size： 5g
Purity： 98%
in stock
$51.00 $36.00
Pack Size： 25g
Purity： >98.0%(T)
in stock
$99.00 $69.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003LXQ
Chemical Name: 4-Pyridineethanesulfonic acid
CAS Number: 53054-76-5
Molecular Formula: C7H9NO3S
Molecular Weight: 187.2163
MDL Number: MFCD00006452
SMILES: OS(=O)(=O)CCc1ccncc1
NSC Number: 87853
Properties
Storage: Inert atmosphere;Room Temperature;  
Complexity: 213  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0  
Downstream Synthesis Route
100-43-6    53054-76-5 

[1]CurrentPatentAssignee:SCHROEDINGERLLC;ANNAPURNABIO-WO2019/169193,2019,A1Locationinpatent:Page/Pagecolumn144

[2]Doering;Weil[JournaloftheAmericanChemicalSociety,1947,vol.69,p.2461,2464]

[3]CurrentPatentAssignee:REILLYTARCHEM-US2508904,1947,A

53054-76-5    123-08-0    111260-13-0 

[1]Eikher-Lorka,O.S.;Kupiatis,G.-K.K.[ChemistryofHeterocyclicCompounds,1986,vol.22,#10,p.1099-1104][KhimiyaGeterotsiklicheskikhSoedinenii,1986,vol.22,#10,p.1357-1362]

53054-76-5    123-11-5    111260-14-1 

[1]Eikher-Lorka,O.S.;Kupiatis,G.-K.K.[ChemistryofHeterocyclicCompounds,1986,vol.22,#10,p.1099-1104][KhimiyaGeterotsiklicheskikhSoedinenii,1986,vol.22,#10,p.1357-1362]

100-43-6    7732-18-5   
sodiumhydrogensulfite 
  53054-76-5 

[1]Doering;Weil[JournaloftheAmericanChemicalSociety,1947,vol.69,p.2461,2464]

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Historical Records
1982-49-6
1982-49-6
868218-21-7
868218-21-7
848931-76-0
848931-76-0
845802-65-5
845802-65-5
Submit
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