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56447-11-1,MFCD00065220
Catalog No.:AA00ECNA

56447-11-1 | Methyl 2-cyanocyclopropane-1-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$101.00   $71.00
- +
5g
95%
in stock  
$352.00   $246.00
- +
10g
95%
in stock  
$677.00   $474.00
- +
25g
95%
in stock  
$1,577.00   $1,104.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00ECNA
Chemical Name:
Methyl 2-cyanocyclopropane-1-carboxylate
CAS Number:
56447-11-1
Molecular Formula:
C7H9NO2
Molecular Weight:
139.1519
MDL Number:
MFCD00065220
SMILES:
CCOC(=O)C1CC1C#N
NSC Number:
145417
Properties
Computed Properties
 
Complexity:
191  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.3  

Downstream Synthesis Route

[1]Araki,Shuki;Hirashita,Tsunehisa;Shimizu,Ken;Ikeda,Takahiro;Butsugan,Yasuo[Tetrahedron,1996,vol.52,#8,p.2803-2816]

[1]Battiti,FranciscoO.;Cemaj,SophieL.;Guerrero,AdrianM.;Shaik,AnverBasha;Lam,Jenny;Rais,Rana;Slusher,BarbaraS.;Deschamps,JefferyR.;Imler,GregH.;Newman,AmyHauck;Bonifazi,Alessandro[JournalofMedicinalChemistry,2019,vol.62,#13,p.6287-6314]

[2]CurrentPatentAssignee:GOVERNMENTOFTHEUNITEDSTATES-WO2020/210785,2020,A1Locationinpatent:Paragraph00083;0122

[3]CurrentPatentAssignee:MERCK&COINC-US4617304,1986,A

[4]CurrentPatentAssignee:MERCK&COINC-EP159264,1991,B1

Literature
Quotation Request
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SDS
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Tags:56447-11-1 Molecular Formula|56447-11-1 MDL|56447-11-1 SMILES|56447-11-1 Methyl 2-cyanocyclopropane-1-carboxylate
Catalog No.: AA00ECNA
56447-11-1,MFCD00065220
56447-11-1 | Methyl 2-cyanocyclopropane-1-carboxylate
Pack Size： 1g
Purity： 95%
in stock
$101.00 $71.00
Pack Size： 5g
Purity： 95%
in stock
$352.00 $246.00
Pack Size： 10g
Purity： 95%
in stock
$677.00 $474.00
Pack Size： 25g
Purity： 95%
in stock
$1,577.00 $1,104.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00ECNA
Chemical Name: Methyl 2-cyanocyclopropane-1-carboxylate
CAS Number: 56447-11-1
Molecular Formula: C7H9NO2
Molecular Weight: 139.1519
MDL Number: MFCD00065220
SMILES: CCOC(=O)C1CC1C#N
NSC Number: 145417
Properties
Complexity: 191  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.3  
Downstream Synthesis Route
3252-43-5    140-88-5    56447-11-1 

[1]Araki,Shuki;Hirashita,Tsunehisa;Shimizu,Ken;Ikeda,Takahiro;Butsugan,Yasuo[Tetrahedron,1996,vol.52,#8,p.2803-2816]

56447-11-1    16177-56-3 

[1]Battiti,FranciscoO.;Cemaj,SophieL.;Guerrero,AdrianM.;Shaik,AnverBasha;Lam,Jenny;Rais,Rana;Slusher,BarbaraS.;Deschamps,JefferyR.;Imler,GregH.;Newman,AmyHauck;Bonifazi,Alessandro[JournalofMedicinalChemistry,2019,vol.62,#13,p.6287-6314]

[2]CurrentPatentAssignee:GOVERNMENTOFTHEUNITEDSTATES-WO2020/210785,2020,A1Locationinpatent:Paragraph00083;0122

[3]CurrentPatentAssignee:MERCK&COINC-US4617304,1986,A

[4]CurrentPatentAssignee:MERCK&COINC-EP159264,1991,B1

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