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CAS Number: 58123-68-5
3,5-dicyanobenzoic acid

Structure

3,5-dicyanobenzoic acid
Name: 3,5-dicyanobenzoic acid
Synonyms:
General Information
Product Number: 58123685

CAS Registry Number 58123-68-5
Name:
Benzoic acid, 3,​5-​dicyano-
3,5-Dicyanobenzoic acid

 

Chemical Formula: C9H4N2O2
Exact Mass: 172.03
Molecular Weight: 172.14
m/z: 172.03 (100.0%), 173.03 (9.9%)

 

InChI:InChI=1S/C9H4N2O2/c10-4-6-1-7(5-11)3-8(2-6)9(12)13/h1-3H,(H,12,13)

InChI Key:PSGADGLETMZWOY-UHFFFAOYSA-N

Canonical SMILES:C1=C(C=C(C=C1C#N)C(=O)O)C#N

Specification

98%

References

PCT Int. Appl. (2011), WO 2011112662 A1 20110915.

PCT Int. Appl. (2011), WO 2011088181 A1 20110721.                                 

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