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52786-67-1,MFCD18394271
Catalog No.:AA00DHUS

52786-67-1 | 2-(2-Cyano-4-methoxyphenyl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$72.00   $50.00
- +
250mg
98%
in stock  
$122.00   $86.00
- +
1g
98%
in stock  
$327.00   $229.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DHUS
Chemical Name:
2-(2-Cyano-4-methoxyphenyl)acetic acid
CAS Number:
52786-67-1
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD18394271
SMILES:
N#Cc1cc(OC)ccc1CC(=O)O
Properties
Computed Properties
 
Complexity:
255  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.1  

Upstream Synthesis Route

[1]Patent:US2011/230461,2011,A1,.Locationinpatent:Page/Pagecolumn31

[2]ACSMedicinalChemistryLetters,2015,vol.6,#2,p.156-161

[1]Patent:US2011/230461,2011,A1,

[2]ACSMedicinalChemistryLetters,2015,vol.6,#2,p.156-161

[1]Patent:US2011/230461,2011,A1,

[2]ACSMedicinalChemistryLetters,2015,vol.6,#2,p.156-161

Downstream Synthesis Route

[1]Patent:US2011/230461,2011,A1

[2]ACSMedicinalChemistryLetters,2015,vol.6,p.156-161

[1]Patent:US2011/230461,2011,A1

[2]ACSMedicinalChemistryLetters,2015,vol.6,p.156-161

[1]Patent:US2011/230461,2011,A1.Locationinpatent:Page/Pagecolumn31

[2]ACSMedicinalChemistryLetters,2015,vol.6,p.156-161

[1]Patent:EP2620433,2013,A1.Locationinpatent:Paragraph0096

Literature
Quotation Request
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SDS
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