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104075-51-6,MFCD13249391
Catalog No.:AA00HA7A

104075-51-6 | Ethyl 2-(2-methylbenzyl)-3-oxobutanoate

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250mg
in stock  
$190.00   $133.00
- +
1g
in stock  
$368.00   $257.00
- +
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Technical Information
Catalog Number:
AA00HA7A
Chemical Name:
Ethyl 2-(2-methylbenzyl)-3-oxobutanoate
CAS Number:
104075-51-6
Molecular Formula:
C14H18O3
Molecular Weight:
234.2909
MDL Number:
MFCD13249391
SMILES:
CCOC(=O)C(C(=O)C)Cc1ccccc1C
Properties
Computed Properties
 
Complexity:
273  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.9  

Literature

Title: Triethyl-ammonium [2-eth-oxy-carbonyl-2-(2-methyl-benz-yl)-6,9-dinitro-3-oxo-bicyclo-[3.3.1]non-6-en-8-yl-idene]azinate.

Journal: Acta crystallographica. Section E, Structure reports online 20110601

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Tags:104075-51-6 Molecular Formula|104075-51-6 MDL|104075-51-6 SMILES|104075-51-6 Ethyl 2-(2-methylbenzyl)-3-oxobutanoate