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90005-77-9,MFCD03701438
Catalog No.:AA00GVFE

90005-77-9 | 4,5,6,7-Tetrahydro-1,2-benzisoxazole-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$160.00   $112.00
- +
5g
97%
in stock  
$726.00   $509.00
- +
10g
97%
in stock  
$932.00   $653.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00GVFE
Chemical Name:
4,5,6,7-Tetrahydro-1,2-benzisoxazole-3-carboxylic acid
CAS Number:
90005-77-9
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD03701438
SMILES:
OC(=O)c1noc2c1CCCC2
Properties
Computed Properties
 
Complexity:
195  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.5  

Downstream Synthesis Route
90005-77-9   
4,5,6,7-tetrahydro-benz<i>d</i>isoxazole-3-carboxylicaciddiethylamide 

[1]Basu;Dhar[JournaloftheIndianChemicalSociety,1946,vol.23,p.189,191]

[1]Basu;Dhar[JournaloftheIndianChemicalSociety,1946,vol.23,p.189,191]

[1]Ruccia,M.etal.[GazzettaChimicaItaliana,1967,vol.97,p.1494-1506]

[1]Bianchetti,G.etal.[GazzettaChimicaItaliana,1963,vol.93,p.1726-1735]

[1]Ruccia,M.etal.[GazzettaChimicaItaliana,1967,vol.97,p.1494-1506]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:90005-77-9 Molecular Formula|90005-77-9 MDL|90005-77-9 SMILES|90005-77-9 4,5,6,7-Tetrahydro-1,2-benzisoxazole-3-carboxylic acid