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42287-94-5,MFCD08234823
Catalog No.:AA003I1F

42287-94-5 | 3-(4-Cyanophenyl)propanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$7.00   $5.00
- +
1g
97%
in stock  
$13.00   $9.00
- +
5g
97%
in stock  
$33.00   $23.00
- +
10g
97%
in stock  
$64.00   $45.00
- +
25g
97%
in stock  
$132.00   $93.00
- +
  • 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:
AA003I1F
Chemical Name:
3-(4-Cyanophenyl)propanoic acid
CAS Number:
42287-94-5
Molecular Formula:
C10H9NO2
Molecular Weight:
175.1840
MDL Number:
MFCD08234823
SMILES:
N#Cc1ccc(cc1)CCC(=O)O
Properties
Properties
 
BP:
362.2°C at 760 mmHg  
Form:
Solid  
MP:
138-143℃  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
1.2  

Upstream Synthesis Route

[1]Patent:US6235731,2001,B1,

[1]Tetrahedron,2004,vol.60,#50,p.11533-11540

[1]Patent:US6300342,2001,B1,

[1]Patent:US5463071,1995,A,

[1]JournalofOrganicChemistry,2004,vol.69,#25,p.8652-8667

[2]OrganicLetters,2001,vol.3,#7,p.1081-1084

Downstream Synthesis Route

[1]ChemischeBerichte,1900,vol.33,p.2626

[1]ChemischeBerichte,1900,vol.33,p.2626

[2]Pharmazie,1973,vol.28,p.724-729

[1]ZeitschriftfurNaturforschung,TeilB:AnorganischeChemie,OrganischeChemie,1980,vol.35,p.934-936

42287-94-5   
H-Gly-Asp(O-t-Bu)-Val-O-t-Bu 
  131668-75-2 

[1]JournalofMedicinalChemistry,1992,vol.35,p.4393-4407

Literature
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SDS
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