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90087-36-8,MFCD06655598
Catalog No.:AA00IFXY

90087-36-8 | 5-Isopropyl-3-methylisoxazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$239.00   $168.00
- +
1g
95%
in stock  
$516.00   $361.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IFXY
Chemical Name:
5-Isopropyl-3-methylisoxazole-4-carboxylic acid
CAS Number:
90087-36-8
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD06655598
SMILES:
CC(c1onc(c1C(=O)O)C)C
Properties
Computed Properties
 
Complexity:
181  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.5  

Downstream Synthesis Route

[1]Takahashi,K.;Miyashita,S.[Chemicalandpharmaceuticalbulletin,1962,vol.10,#7,p.603-607]

[1]Takahashi,K.;Miyashita,S.[Chemicalandpharmaceuticalbulletin,1962,vol.10,#7,p.603-607]

[1]Natale,N.R.;McKenna,JohnI.;Niou,Chorng-Shyr;Borth,Mark;Hope,Hakon[JournalofOrganicChemistry,1985,vol.50,#26,p.5660-5666]

[1]Natale,N.R.;McKenna,JohnI.;Niou,Chorng-Shyr;Borth,Mark;Hope,Hakon[JournalofOrganicChemistry,1985,vol.50,#26,p.5660-5666]

Literature
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Additional Info:
SDS
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Tags:90087-36-8 Molecular Formula|90087-36-8 MDL|90087-36-8 SMILES|90087-36-8 5-Isopropyl-3-methylisoxazole-4-carboxylic acid