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96334-46-2,MFCD00715704
Catalog No.:AA00J3EP

96334-46-2 | 7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%(HPLC)
in stock  
$561.00   $393.00
- +
1g
98%(HPLC)
in stock  
$1,612.00   $1,128.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00J3EP
Chemical Name:
7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
CAS Number:
96334-46-2
Molecular Formula:
C9H8O3S
Molecular Weight:
196.2230
MDL Number:
MFCD00715704
SMILES:
OC(=O)c1csc2c1CCCC2=O
Properties
Computed Properties
 
Complexity:
251  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Kharizomenova,I.A.;Kapustina,M.V.;Grinev,A.N.;Sheinker,Yu.N.;Alekseeva,L.M.;Kuleshova,E.F.[ChemistryofHeterocyclicCompounds,1984,vol.20,#12,p.1339-1342][KhimiyaGeterotsiklicheskikhSoedinenii,1984,#12,p.1626-1629]

[2]CurrentPatentAssignee:EISAICOLTD-US2005/227959,2005,A1Locationinpatent:Page/Pagecolumn33

[1]CurrentPatentAssignee:EISAICOLTD-US2005/227959,2005,A1Locationinpatent:Page/Pagecolumn33

96334-46-2   
C9H7ClO2S 

[1]CurrentPatentAssignee:EISAICOLTD-US2005/227959,2005,A1Locationinpatent:Page/Pagecolumn52;68

[1]Kharizomenova,I.A.;Kapustina,M.V.;Grinev,A.N.;Sheinker,Yu.N.;Alekseeva,L.M.;Kuleshova,E.F.[ChemistryofHeterocyclicCompounds,1984,vol.20,#12,p.1339-1342][KhimiyaGeterotsiklicheskikhSoedinenii,1984,#12,p.1626-1629]

[2]CurrentPatentAssignee:EISAICOLTD-US2005/227959,2005,A1

[1]Kharizomenova,I.A.;Kapustina,M.V.;Grinev,A.N.;Sheinker,Yu.N.;Alekseeva,L.M.;Kuleshova,E.F.[ChemistryofHeterocyclicCompounds,1984,vol.20,#12,p.1339-1342][KhimiyaGeterotsiklicheskikhSoedinenii,1984,#12,p.1626-1629]

Literature
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SDS
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Tags:96334-46-2 Molecular Formula|96334-46-2 MDL|96334-46-2 SMILES|96334-46-2 7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
Catalog No.: AA00J3EP
96334-46-2,MFCD00715704
96334-46-2 | 7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
Pack Size： 250mg
Purity： 98%(HPLC)
in stock
$561.00 $393.00
Pack Size： 1g
Purity： 98%(HPLC)
in stock
$1,612.00 $1,128.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00J3EP
Chemical Name: 7-Oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
CAS Number: 96334-46-2
Molecular Formula: C9H8O3S
Molecular Weight: 196.2230
MDL Number: MFCD00715704
SMILES: OC(=O)c1csc2c1CCCC2=O
Properties
Complexity: 251  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Downstream Synthesis Route
96334-45-1    96334-46-2 

[1]Kharizomenova,I.A.;Kapustina,M.V.;Grinev,A.N.;Sheinker,Yu.N.;Alekseeva,L.M.;Kuleshova,E.F.[ChemistryofHeterocyclicCompounds,1984,vol.20,#12,p.1339-1342][KhimiyaGeterotsiklicheskikhSoedinenii,1984,#12,p.1626-1629]

[2]CurrentPatentAssignee:EISAICOLTD-US2005/227959,2005,A1Locationinpatent:Page/Pagecolumn33

96334-46-2    75-65-0    864960-76-9 

[1]CurrentPatentAssignee:EISAICOLTD-US2005/227959,2005,A1Locationinpatent:Page/Pagecolumn33

96334-46-2   
C9H7ClO2S 

[1]CurrentPatentAssignee:EISAICOLTD-US2005/227959,2005,A1Locationinpatent:Page/Pagecolumn52;68

5919-29-9    96334-46-2 

[1]Kharizomenova,I.A.;Kapustina,M.V.;Grinev,A.N.;Sheinker,Yu.N.;Alekseeva,L.M.;Kuleshova,E.F.[ChemistryofHeterocyclicCompounds,1984,vol.20,#12,p.1339-1342][KhimiyaGeterotsiklicheskikhSoedinenii,1984,#12,p.1626-1629]

[2]CurrentPatentAssignee:EISAICOLTD-US2005/227959,2005,A1

62821-69-6    96334-46-2 

[1]Kharizomenova,I.A.;Kapustina,M.V.;Grinev,A.N.;Sheinker,Yu.N.;Alekseeva,L.M.;Kuleshova,E.F.[ChemistryofHeterocyclicCompounds,1984,vol.20,#12,p.1339-1342][KhimiyaGeterotsiklicheskikhSoedinenii,1984,#12,p.1626-1629]

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