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2819-68-3,MFCD03412495
Catalog No.:AA00BVM4

2819-68-3 | 3-(2-Oxo-1-phenylcyclohexyl)propanoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$284.00   $199.00
- +
1g
95%
in stock  
$635.00   $444.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00BVM4
Chemical Name:
3-(2-Oxo-1-phenylcyclohexyl)propanoic acid
CAS Number:
2819-68-3
Molecular Formula:
C15H18O3
Molecular Weight:
246.3016
MDL Number:
MFCD03412495
SMILES:
C1CCC(C(=O)C1)(CCC(=O)O)C2=CC=CC=C2
NSC Number:
97795
Properties
Properties
 
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
318  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.3  

Downstream Synthesis Route

[1]Fischer,Friedrich;Palitzsch,Peter[ZeitschriftfurChemie,1982,vol.22,#8,p.309-310]

[1]Fischer,Friedrich;Palitzsch,Peter[ZeitschriftfurChemie,1982,vol.22,#8,p.309-310]

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/12477,2012,A1Locationinpatent:Page/Pagecolumn51

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2012/40532,2012,A1Locationinpatent:Page/Pagecolumn36-37

[3]Fusco,R.etal.[Farmaco,EdizioneScientifica,1965,vol.20,p.393-407]

[4]Fischer,Friedrich;Palitzsch,Peter[ZeitschriftfurChemie,1982,vol.22,#8,p.309-310]

Literature
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SDS
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Tags:2819-68-3 Molecular Formula|2819-68-3 MDL|2819-68-3 SMILES|2819-68-3 3-(2-Oxo-1-phenylcyclohexyl)propanoic acid