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CAS Number: 199536-01-1
methyl 3-amino-5-cyanobenzoate

Structure

methyl 3-amino-5-cyanobenzoate
Name: methyl 3-amino-5-cyanobenzoate
Synonyms:
General Information
Product Number: 199536011

CAS Registry Number 199536-01-1
Name:
Benzoic acid, 3-​amino-​5-​cyano-​, methyl ester
Methyl 3-amino-5-cyanobenzoate

 

Chemical Formula: C9H8N2O2
Exact Mass: 176.06
Molecular Weight: 176.17
m/z: 176.06 (100.0%), 177.06 (10.6%)

 

InChI:InChI=1S/C9H8N2O2/c1-13-9(12)7-2-6(5-10)3-8(11)4-7/h2-4H,11H2,1H3

InChI Key:PEYGSXLYSVLVEL-UHFFFAOYSA-N

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

Specification

98%

References

PCT Int. Appl. (2012), WO 2012061557 A2 20120510.                                  

PCT Int. Appl. (2011), WO 2011137587 A1 20111110.                                  

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