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4513-93-3,MFCD02681967
Catalog No.:AA00I8EU

4513-93-3 | 3,5-Dimethyl-1H-pyrrole-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$28.00   $20.00
- +
1g
97%
in stock  
$46.00   $32.00
- +
5g
97%
in stock  
$144.00   $101.00
- +
10g
97%
in stock  
$243.00   $171.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00I8EU
Chemical Name:
3,5-Dimethyl-1H-pyrrole-2-carboxylic acid
CAS Number:
4513-93-3
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD02681967
SMILES:
OC(=O)c1[nH]c(cc1C)C
Properties
Properties
 
BP:
318.4°C at 760 mmHg  
Form:
Solid  
MP:
124-126 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
147  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
XLogP3:
1.3  

Literature

Title: Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole.

Journal: Acta crystallographica. Section C, Crystal structure communications 20050901

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SDS
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Tags:4513-93-3 Molecular Formula|4513-93-3 MDL|4513-93-3 SMILES|4513-93-3 3,5-Dimethyl-1H-pyrrole-2-carboxylic acid