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923526-87-8,MFCD08559401
Catalog No.:AA0067EI

923526-87-8 | 2-(1H-Pyrazol-1-yl)butanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0067EI
Chemical Name:
2-(1H-Pyrazol-1-yl)butanoic acid
CAS Number:
923526-87-8
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD08559401
SMILES:
CCC(n1cccn1)C(=O)O
Properties
Computed Properties
 
Complexity:
149  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
0.9  

Downstream Synthesis Route

[1]Kathman,StefanG.;Xu,Ziyang;Statsyuk,AlexanderV.[JournalofMedicinalChemistry,2014,vol.57,#11,p.4969-4974]

923526-87-8    139200-39-8   
C12H17N3O3 

[1]Kathman,StefanG.;Xu,Ziyang;Statsyuk,AlexanderV.[JournalofMedicinalChemistry,2014,vol.57,#11,p.4969-4974]

923526-87-8   
C10H17NO4*C2HF3O2 
 
C12H17N3O3 

[1]McShan,Danielle;Kathman,Stefan;Lowe,Brittiney;Xu,Ziyang;Zhan,Jennifer;Statsyuk,Alexander;Ogungbe,IfedayoVictor[BioorganicandMedicinalChemistryLetters,2015,vol.25,#20,p.4509-4512]

Literature
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SDS
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