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5442-91-1,MFCD00030408
Catalog No.:AA00DDS9

5442-91-1 | 4-(Ethoxycarbonyl)-3,5-dimethyl-1h-pyrrole-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
25g
95%
in stock  
$1,524.00   $1,067.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00DDS9
Chemical Name:
4-(Ethoxycarbonyl)-3,5-dimethyl-1h-pyrrole-2-carboxylic acid
CAS Number:
5442-91-1
Molecular Formula:
C10H13NO4
Molecular Weight:
211.2145
MDL Number:
MFCD00030408
SMILES:
CCOC(=O)c1c(C)[nH]c(c1C)C(=O)O
NSC Number:
13427
Properties
Properties
 
BP:
424.6°C at 760 mmHg  
Form:
Solid  
MP:
202℃ (decomp)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
266  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
1.6  

Literature

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

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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SDS
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Tags:5442-91-1 Molecular Formula|5442-91-1 MDL|5442-91-1 SMILES|5442-91-1 4-(Ethoxycarbonyl)-3,5-dimethyl-1h-pyrrole-2-carboxylic acid