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CAS Number: 661458-28-2
methyl 3-cyano-5-methoxybenzoate

Structure

methyl 3-cyano-5-methoxybenzoate
Name: methyl 3-cyano-5-methoxybenzoate
Synonyms:
General Information
Product Number: 661458282
CAS Registry Number: 661458-28-2
Name:
Benzoic acid, 3-​cyano-​5-​methoxy-​, methyl ester
Methyl 3-​Cyano-​5-​methoxybenzoate 
 
Chemical Formula: C10H9NO3
Exact Mass: 191.06
Molecular Weight: 191.18
m/z: 191.06 (100.0%), 192.06 (11.4%), 193.06 (1.2%)
Elemental Analysis: C, 62.82; H, 4.74; N, 7.33; O, 25.11
 
InChI: InChI=1S/C11H11NO3/c1-3-15-11(13)9-4-8(7-12)5-10(6-9)14-2/h4-6H,3H2,1-2H3
InChIKey: GGUMQTRVPNLXEF-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CC(=CC(=C1)C#N)OC

Specification

98%

References

PCT Int. Appl. (2009), WO 2009094157 A1 20090730.

PCT Int. Appl. (2004), WO 2004014902 A2 20040219.  

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