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CAS Number: 74192-47-5
4-amino-3-cyanobenzoic acid

Structure

4-amino-3-cyanobenzoic acid
Name: 4-amino-3-cyanobenzoic acid
Synonyms:
General Information
Product Number: 74192475

CAS Registry Number 74192-47-5
Name:
Benzoic acid, 4-​amino-​3-​cyano-

 

Chemical Formula: C8H6N2O2
Exact Mass: 162.04
Molecular Weight: 162.15
m/z: 162.04 (100.0%), 163.05 (8.8%)

 

InChI:InChI=1S/C8H6N2O2/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-3H,10H2,(H,11,12)

InChI Key:SCDUHKOJSMYVPO-UHFFFAOYSA-N

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

Specification

98%

References

PCT Int. Appl. (2004), WO 2004022529 A2 20040318.

Journal of Physical Chemistry A (2011), 115(51), 14697-14707.                                  

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