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CAS Number: 453565-76-9
methyl 3-cyano-5-hydroxybenzoate

Structure

methyl 3-cyano-5-hydroxybenzoate
Name: methyl 3-cyano-5-hydroxybenzoate
Synonyms:
General Information
Product Number: 453565769

CAS Registry Number 453565-76-9
Name:
Benzoic acid, 3-​cyano-​5-​hydroxy-​, methyl ester
Methyl 3-cyano-5-hydroxybenzoate

 

Chemical Formula: C9H7NO3
Exact Mass: 177.04
Molecular Weight: 177.16
m/z: 177.04 (100.0%), 178.05 (9.9%), 179.05 (1.1%)

 

InChI:InChI=1S/C9H7NO3/c1-13-9(12)7-2-6(5-10)3-8(11)4-7/h2-4,11H,1H3

InChI Key:KDZKUPKPTGAQPV-UHFFFAOYSA-N

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

Specification

98%

References

PCT Int. Appl. (2009), WO 2009078983 A1 20090625. 

PCT Int. Appl. (2002), WO 2002068417 A2 20020906.

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