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169376-35-6,MFCD05863374
Catalog No.:AA00APVH

169376-35-6 | Ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
1 week  
$36.00   $26.00
- +
250mg
95%
1 week  
$44.00   $31.00
- +
1g
95%
1 week  
$116.00   $81.00
- +
5g
95%
1 week  
$553.00   $387.00
- +
  • 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:
AA00APVH
Chemical Name:
Ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate
CAS Number:
169376-35-6
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD05863374
SMILES:
CCOC(=O)CC(=O)c1[nH]ccc1
NSC Number:
81357
Properties
Computed Properties
 
Complexity:
203  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
1.1  

Upstream Synthesis Route

[1]OrganicLetters,2017,vol.19,#23,p.6344-6347

[1]AdvancedSynthesisandCatalysis,2015,vol.357,#14-15,p.3076-3080

Downstream Synthesis Route
169376-35-6    326-91-0    7560-83-0   
ethyl5-oxo-2-((1H-pyrrol-2-yl)carbonyl)-5-(thiophen-2-yl)pentanoate 

[1]AdvancedSynthesisandCatalysis,2015,vol.357,p.3076-3080

[1]OrganicLetters,2017,vol.19,p.6344-6347

Literature
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SDS
Tags:169376-35-6 Molecular Formula|169376-35-6 MDL|169376-35-6 SMILES|169376-35-6 Ethyl 3-oxo-3-(1H-pyrrol-2-yl)propanoate