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82152-06-5,MFCD11868496
Catalog No.:AA00G8PH

82152-06-5 | (3-Oxo-1,2-benzisothiazol-2(3h)-yl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$346.00   $242.00
- +
1g
95%
in stock  
$641.00   $449.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00G8PH
Chemical Name:
(3-Oxo-1,2-benzisothiazol-2(3h)-yl)acetic acid
CAS Number:
82152-06-5
Molecular Formula:
C9H7NO3S
Molecular Weight:
209.2218
MDL Number:
MFCD11868496
SMILES:
OC(=O)Cn1sc2c(c1=O)cccc2
Properties
Computed Properties
 
Complexity:
269  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.1  

Downstream Synthesis Route

[1]Locationinpatent:experimentalpartTiew,Kok-Chuan;Dou,Dengfeng;Teramoto,Tadahisa;Lai,Huiguo;Alliston,KevinR.;Lushington,GeraldH.;Padmanabhan;Groutas,WilliamC.[BioorganicandMedicinalChemistry,2012,vol.20,#3,p.1213-1221]

[1]Lai,Huiguo;Dou,Dengfeng;Aravapalli,Sridhar;Teramoto,Tadahisa;Lushington,GeraldH.;Mwania,TomM.;Alliston,KevinR.;Eichhorn,DavidM.;Padmanabhan,Radhakrishnan;Groutas,WilliamC.[BioorganicandMedicinalChemistry,2013,vol.21,#1,p.102-113]

[1]BioorganicandMedicinalChemistry,2013,vol.21,p.102-113

[1]Lai,Huiguo;Dou,Dengfeng;Aravapalli,Sridhar;Teramoto,Tadahisa;Lushington,GeraldH.;Mwania,TomM.;Alliston,KevinR.;Eichhorn,DavidM.;Padmanabhan,Radhakrishnan;Groutas,WilliamC.[BioorganicandMedicinalChemistry,2013,vol.21,#1,p.102-113]

[1]BioorganicandMedicinalChemistry,2014,vol.22,p.2416-2426

Literature
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SDS
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Tags:82152-06-5 Molecular Formula|82152-06-5 MDL|82152-06-5 SMILES|82152-06-5 (3-Oxo-1,2-benzisothiazol-2(3h)-yl)acetic acid