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CAS Number: 845616-14-0
5-cyano-2-isopropoxybenzoic acid

Structure

5-cyano-2-isopropoxybenzoic acid
Name: 5-cyano-2-isopropoxybenzoic acid
Synonyms:
General Information
Product Number: 845616140

CAS Registry Number 845616-14-0
Name:
Benzoic acid, 5-​cyano-​2-​(1-​methylethoxy)​-
5-Cyano-2-isopropoxybenzoic acid

 

Chemical Formula: C11H11NO3
Exact Mass: 205.07
Molecular Weight: 205.21
m/z: 205.07 (100.0%), 206.08 (12.1%), 207.08 (1.3%)

 

InChI:InChI=1S/C11H11NO3/c1-7(2)15-10-4-3-8(6-12)5-9(10)11(13)14/h3-5,7H,1-2H3,(H,13,14)

InChI Key:QEFGGEYGXSUDBC-UHFFFAOYSA-N

Canonical SMILES:CC(C)OC1=C(C=C(C=C1)C#N)C(=O)O

Specification

98%

References

PCT Int. Appl. (2011), WO 2011060392 A1 20110519.

PCT Int. Appl. (2006), WO 2006082001 A1 20060810.                                 

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