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Home Carboxes 52816-02-1
52816-02-1,MFCD00170683
Catalog No.:AA00DAQ8

52816-02-1 | Ethyl 3-(1h-indol-3-yl)-3-oxopropanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$324.00   $227.00
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  • Technical Information
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Technical Information
Catalog Number:
AA00DAQ8
Chemical Name:
Ethyl 3-(1h-indol-3-yl)-3-oxopropanoate
CAS Number:
52816-02-1
Molecular Formula:
C13H13NO3
Molecular Weight:
231.2472
MDL Number:
MFCD00170683
SMILES:
CCOC(=O)CC(=O)c1c[nH]c2c1cccc2
Properties
Properties
 
BP:
391.5°C at 760 mmHg  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
303  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
2.4  

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:52816-02-1 Molecular Formula|52816-02-1 MDL|52816-02-1 SMILES|52816-02-1 Ethyl 3-(1h-indol-3-yl)-3-oxopropanoate