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CAS Number: 78621-81-5
3-cyano-5-methylbenzoic acid

Structure

3-cyano-5-methylbenzoic acid
Name: 3-cyano-5-methylbenzoic acid
Synonyms:
General Information
Product Number: 78621815

CAS Registry Number 78621-81-5
Name:
Benzoic acid, 3-​cyano-​5-​methyl-
m-Toluic acid, 5-cyano- (6CI,7CI)
3-Methyl-5-cyanobenzoic acid

 

Chemical Formula: C9H7NO2
Exact Mass: 161.05
Molecular Weight: 161.16
m/z: 161.05 (100.0%), 162.05 (9.9%)

 

InChI:InChI=1S/C9H7NO2/c1-6-2-7(5-10)4-8(3-6)9(11)12/h2-4H,1H3,(H,11,12)

InChI Key:JHRJIRAJMCHQHV-UHFFFAOYSA-N

Canonical SMILES:CC1=CC(=CC(=C1)C(=O)O)C#N

Specification

98%

References

PCT Int. Appl. (2010), WO 2010085128 A2 20100729.                                 

PCT Int. Appl. (2010), WO 2010009047 A1 20100121.                                  

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