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77498-98-7,MFCD04974056
Catalog No.:AA005HDM

77498-98-7 | 2-Phenyl-1h-imidazole-4-carboxylic acid hydrate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$238.00   $167.00
- +
1g
97%
in stock  
$510.00   $357.00
- +
  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA005HDM
Chemical Name:
2-Phenyl-1h-imidazole-4-carboxylic acid hydrate
CAS Number:
77498-98-7
Molecular Formula:
C10H8N2O2
Molecular Weight:
188.1827
MDL Number:
MFCD04974056
SMILES:
OC(=O)c1c[nH]c(n1)c1ccccc1
Properties
Properties
 
BP:
495.1°C at 760 mmHg  
Form:
Solid  
MP:
217 °C  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
214  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.6  

Literature

Title: Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution.

Journal: Bioorganic & medicinal chemistry letters 20101115

Title: Imidazole-based potential Bi- and tridentate nitrogen ligands: synthesis, characterization and application in asymmetric catalysis.

Journal: Molecules (Basel, Switzerland) 20080925

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SDS
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