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CAS Number: 302912-31-8
ethyl 2-(4-cyanophenyl)-2-oxoacetate

Structure

ethyl 2-(4-cyanophenyl)-2-oxoacetate
Name: ethyl 2-(4-cyanophenyl)-2-oxoacetate
Synonyms:
General Information
Product Number: 302912318
CAS Registry Number: 302912-31-8
Name:
Benzeneacetic acid, 4-​cyano-​α-​oxo-​, ethyl ester
(4-​Cyanophenyl)​(oxo)​acetic acid ethyl ester; Ethyl (4-​cyanophenyl)​oxoacetate; Ethyl 2-​(4-​cyanophenyl)​-​2-​oxoacetate; Ethyl 2-​oxo-​2-​(4-​cyanophenyl)​acetate; Ethyl 4-​cyanobenzoylformate 
 
Chemical Formula: C11H9NO3
Exact Mass: 203.06
Molecular Weight: 203.19
m/z: 203.06 (100.0%), 204.06 (12.5%), 205.06 (1.3%)
Elemental Analysis: C, 65.02; H, 4.46; N, 6.89; O, 23.62
 
InChI: InChI=1S/C11H9NO3/c1-2-15-11(14)10(13)9-5-3-8(7-12)4-6-9/h3-6H,2H2,1H3
InChIKey: MGBZXMQPYAYPIQ-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C(=O)C1=CC=C(C=C1)C#N

Specification

98%

References

PCT Int. Appl. (2012), WO 2012167046 A1 20121206.                                  

PCT Int. Appl. (2011), WO 2011133734 A1 20111027.                                 

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