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117860-56-7,MFCD04971102
Catalog No.:AA0081BP

117860-56-7 | 5-(Methoxycarbonyl)-1-methyl-1h-pyrazole-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$99.00   $70.00
- +
250mg
95%
in stock  
$153.00   $108.00
- +
500mg
95%
in stock  
$287.00   $201.00
- +
1g
95%
in stock  
$391.00   $274.00
- +
5g
95%
in stock  
$1,241.00   $869.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0081BP
Chemical Name:
5-(Methoxycarbonyl)-1-methyl-1h-pyrazole-3-carboxylic acid
CAS Number:
117860-56-7
Molecular Formula:
C7H8N2O4
Molecular Weight:
184.1494
MDL Number:
MFCD04971102
SMILES:
Cn1nc(cc1C(=O)OC)C(=O)O
Properties
Computed Properties
 
Complexity:
231  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
0.3  

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1989,vol.54,p.428-431

[2]JournalofMedicinalChemistry,2018,vol.61,p.10875-10894

[1]Lee,HoH.;Cain,BruceF.;Denny,WilliamA.;Buckleton,JohnS.;Clark,GeorgeR.[JournalofOrganicChemistry,1989,vol.54,#2,p.428-431]

[1]JournalofMedicinalChemistry,2018,vol.61,p.10875-10894

[2]JournalofMedicinalChemistry,2019,vol.62,p.1036-1053

Literature
Quotation Request
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Additional Info:
SDS
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Tags:117860-56-7 Molecular Formula|117860-56-7 MDL|117860-56-7 SMILES|117860-56-7 5-(Methoxycarbonyl)-1-methyl-1h-pyrazole-3-carboxylic acid