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5331-42-0,MFCD00205073
Catalog No.:AA00D934

5331-42-0 | 2-Cyano-3-phenylpropionic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$50.00   $35.00
- +
1g
98%
in stock  
$117.00   $82.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00D934
Chemical Name:
2-Cyano-3-phenylpropionic acid
CAS Number:
5331-42-0
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD00205073
SMILES:
N#CC(C(=O)O)Cc1ccccc1
NSC Number:
2286
Properties
Properties
 
BP:
357.4°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.7  

Downstream Synthesis Route

[1]Basu,ManasK.;Sarkar,DipakC.;Ranu,BrindabanC.[SyntheticCommunications,1989,vol.19,#3and4,p.627-632]

[2]Hessler[AmericanChemicalJournal,1899,vol.22,p.171][JournaloftheAmericanChemicalSociety,1913,vol.35,p.990;38,909]

[3]Buev,EvgenyM.;Smorodina,AnastasiaA.;Moshkin,VladimirS.;Sosnovskikh,VyacheslavY.[TetrahedronLetters,2020,vol.61,#14]

[1]Baker;Lapworth[JournaloftheChemicalSociety,1924,vol.125,p.2337]

[2]Wideqvist[ArkivfoerKemi,1948,vol.26A,#16,p.10]

[3]Wideqvist[1942,vol.54,p.34,41]

[1]Walker[JournaloftheChemicalSociety,1924,vol.125,p.1623Anm.]

toluene-4-diazonium;sulfate 
  5331-42-0    62039-31-0 

[1]Walker[JournaloftheChemicalSociety,1924,vol.125,p.1623Anm.]

[1]Baker;Lapworth[JournaloftheChemicalSociety,1924,vol.125,p.2337]

Literature

Title: A family of helminth molecules that modulate innate cell responses via molecular mimicry of host antimicrobial peptides.

Journal: PLoS pathogens 20110501

Title: Fragmentation of leucine enkephalin as a function of laser fluence in a MALDI TOF-TOF.

Journal: Journal of the American Society for Mass Spectrometry 20070401

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