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CAS Number: 138642-93-0
3-cyano-4-methylbenzoic acid

Structure

3-cyano-4-methylbenzoic acid
Name: 3-cyano-4-methylbenzoic acid
Synonyms:
General Information
Product Number: 138642930

CAS Registry Number 138642-93-0
Name:
Benzoic acid, 3-​cyano-​4-​methyl-
3-Cyano-4-methylbenzoic 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/c1-6-2-3-7(9(11)12)4-8(6)5-10/h2-4H,1H3,(H,11,12)

InChI Key:GWSXYSZAGOCSNP-UHFFFAOYSA-N

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

Specification

98%

References

(1) Crosby, John; Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999) 1994, (13), P1679-87 CAPLUS

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