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49744-93-6,MFCD00029621
Catalog No.:AA006Y7V

49744-93-6 | Ethyl 3-(4-cyanophenyl)-3-oxopropanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$51.00   $36.00
- +
1g
97%
in stock  
$62.00   $43.00
- +
5g
97%
in stock  
$306.00   $214.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006Y7V
Chemical Name:
Ethyl 3-(4-cyanophenyl)-3-oxopropanoate
CAS Number:
49744-93-6
Molecular Formula:
C12H11NO3
Molecular Weight:
217.2206
MDL Number:
MFCD00029621
SMILES:
CCOC(=O)CC(=O)c1ccc(cc1)C#N
Properties
Computed Properties
 
Complexity:
308  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Downstream Synthesis Route

[1]Tetrahedron,1982,vol.38,p.1203-1211

[1]Tetrahedron,1982,vol.38,p.1203-1211

[1]Tetrahedron,1982,vol.38,p.1203-1211

[1]JournalofMedicinalChemistry,1985,vol.28,p.1864-1869

[1]Tetrahedron,1982,vol.38,p.1203-1211

Literature
Quotation Request
Company Name:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:49744-93-6 Molecular Formula|49744-93-6 MDL|49744-93-6 SMILES|49744-93-6 Ethyl 3-(4-cyanophenyl)-3-oxopropanoate
Catalog No.: AA006Y7V
49744-93-6,MFCD00029621
49744-93-6 | Ethyl 3-(4-cyanophenyl)-3-oxopropanoate
Pack Size： 250mg
Purity： 97%
in stock
$51.00 $36.00
Pack Size： 1g
Purity： 97%
in stock
$62.00 $43.00
Pack Size： 5g
Purity： 97%
in stock
$306.00 $214.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA006Y7V
Chemical Name: Ethyl 3-(4-cyanophenyl)-3-oxopropanoate
CAS Number: 49744-93-6
Molecular Formula: C12H11NO3
Molecular Weight: 217.2206
MDL Number: MFCD00029621
SMILES: CCOC(=O)CC(=O)c1ccc(cc1)C#N
Properties
Complexity: 308  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
Downstream Synthesis Route
673-22-3    49744-93-6    83204-56-2 

[1]Tetrahedron,1982,vol.38,p.1203-1211

708-76-9    49744-93-6    83179-55-9 

[1]Tetrahedron,1982,vol.38,p.1203-1211

49744-93-6    90-02-8    77031-63-1 

[1]Tetrahedron,1982,vol.38,p.1203-1211

49744-93-6    113-00-8    98305-78-3 

[1]JournalofMedicinalChemistry,1985,vol.28,p.1864-1869

1129-35-7    141-78-6    49744-93-6 

[1]Tetrahedron,1982,vol.38,p.1203-1211

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