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50916-34-2,MFCD09055064
Catalog No.:AA00DJAO

50916-34-2 | 1-(3-Cyanophenyl)propan-1-one

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100mg
95+%
in stock  
$183.00   $128.00
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250mg
95+%
in stock  
$328.00   $230.00
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1g
95+%
in stock  
$872.00   $610.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DJAO
Chemical Name:
1-(3-Cyanophenyl)propan-1-one
CAS Number:
50916-34-2
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD09055064
SMILES:
CCC(=O)c1cccc(c1)C#N
Properties
Computed Properties
 
Complexity:
213  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.6  

Downstream Synthesis Route
64-17-5    50916-34-2   
3-Propionyl-benzimidicacidethylester;hydrochloride 

[1]Stanek;Caravatti;Capraro;Furet;Mett;Schneider;Regenass[JournalofMedicinalChemistry,1993,vol.36,#1,p.46-54]

[1]Sonawane,Harikisan;Bellur,NanjundiahS.;Kulkarni,DilipG.;Ayyangar,NagarajR.[Tetrahedron,1994,vol.50,#4,p.1243-1260]

[2]CurrentPatentAssignee:ROCHEHOLDINGAG-US2008/300279,2008,A1Locationinpatent:Page/Pagecolumn15

[3]Lagoja,IreneM.;Pannecouque,Christophe;VanAerschot,Arthur;Witvrouw,Myriam;Debyser,Zeger;Balzarini,Jan;Herdewijn,Piet;DeClercq,Erik[JournalofMedicinalChemistry,2003,vol.46,#8,p.1546-1553]

[1]Sonawane,Harikisan;Bellur,NanjundiahS.;Kulkarni,DilipG.;Ayyangar,NagarajR.[Tetrahedron,1994,vol.50,#4,p.1243-1260]

[2]Lagoja,IreneM.;Pannecouque,Christophe;VanAerschot,Arthur;Witvrouw,Myriam;Debyser,Zeger;Balzarini,Jan;Herdewijn,Piet;DeClercq,Erik[JournalofMedicinalChemistry,2003,vol.46,#8,p.1546-1553]

[3]CurrentPatentAssignee:ROCHEHOLDINGAG-US2008/300279,2008,A1Locationinpatent:Page/Pagecolumn15

[1]Lagoja,IreneM.;Pannecouque,Christophe;VanAerschot,Arthur;Witvrouw,Myriam;Debyser,Zeger;Balzarini,Jan;Herdewijn,Piet;DeClercq,Erik[JournalofMedicinalChemistry,2003,vol.46,#8,p.1546-1553]

[2]Pratesi;Grana;Villa[Farmaco,EdizioneScientifica,1973,vol.28,#10,p.753-765]Villa;Taddei;Ferri[Farmaco,EdizioneScientifica,1974,vol.29,#1,p.73-79]

[1]JournalofMedicinalChemistry,1995,vol.38,p.3624-3637

Literature
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SDS
Tags:50916-34-2 Molecular Formula|50916-34-2 MDL|50916-34-2 SMILES|50916-34-2 1-(3-Cyanophenyl)propan-1-one