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1879-58-9,MFCD00516888
Catalog No.:AA002GHE

1879-58-9 | (3-Cyanophenoxy)acetic acid

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Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$32.00   $22.00
- +
1g
95%
in stock  
$48.00   $34.00
- +
5g
98%
in stock  
$189.00   $132.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002GHE
Chemical Name:
(3-Cyanophenoxy)acetic acid
CAS Number:
1879-58-9
Molecular Formula:
C9H7NO3
Molecular Weight:
177.1568
MDL Number:
MFCD00516888
SMILES:
N#Cc1cccc(c1)OCC(=O)O
Properties
Properties
 
BP:
352.235°C at 760 mmHg  
Form:
Solid  
Refractive Index:
1.5200 (estimate)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
230  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
0.9  

Downstream Synthesis Route

[1]Hayes;Branch[JournaloftheAmericanChemicalSociety,1943,vol.65,p.1555]

[1]Su,Ting;Wu,Yanhong;Doughan,Brandon;Kane-Maguire,Kim;Marlowe,CharlesK;Kanter,JamesP;Woolfrey,John;Huang,Brian;Wong,Paul;Sinha,Uma;Park,Gary;Malinowski,John;Hollenbach,Stan;Scarborough,RobertM;Zhu,Bing-Yan[BioorganicandMedicinalChemistryLetters,2001,vol.11,#17,p.2279-2282]

[1]Su,Ting;Wu,Yanhong;Doughan,Brandon;Kane-Maguire,Kim;Marlowe,CharlesK;Kanter,JamesP;Woolfrey,John;Huang,Brian;Wong,Paul;Sinha,Uma;Park,Gary;Malinowski,John;Hollenbach,Stan;Scarborough,RobertM;Zhu,Bing-Yan[BioorganicandMedicinalChemistryLetters,2001,vol.11,#17,p.2279-2282]

[1]Su,Ting;Wu,Yanhong;Doughan,Brandon;Kane-Maguire,Kim;Marlowe,CharlesK;Kanter,JamesP;Woolfrey,John;Huang,Brian;Wong,Paul;Sinha,Uma;Park,Gary;Malinowski,John;Hollenbach,Stan;Scarborough,RobertM;Zhu,Bing-Yan[BioorganicandMedicinalChemistryLetters,2001,vol.11,#17,p.2279-2282]

[2]Tran,KimT.;Pallesen,JakobS.;Solbak,SaraM.;Narayanan,Dilip;Baig,Amina;Zang,Jie;Aguayo-Orozco,Alejandro;Carmona,RosaM.C.;Garcia,AnthonyD.;Bach,Anders[JournalofMedicinalChemistry,2019,vol.62,#17,p.8028-8052]

Literature
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SDS
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Tags:1879-58-9 Molecular Formula|1879-58-9 MDL|1879-58-9 SMILES|1879-58-9 (3-Cyanophenoxy)acetic acid