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CAS Number: 214759-65-6
4-oxochroman-7-carbonitrile

Structure

 4-oxochroman-7-carbonitrile
Name: 4-oxochroman-7-carbonitrile
Synonyms:
General Information
Product Number: 214759656

CAS Registry Number 214759-65-6
Name:
2H-?1-?Benzopyran-?7-?carbonitrile, 3,?4-?dihydro-?4-?oxo-
4-Oxochroman-7-carbonitrile
7-Cyanochroman-4-one

 

Chemical Formula: C10H7NO2
Exact Mass: 173.05
Molecular Weight: 173.17
m/z: 173.05 (100.0%), 174.05 (11.0%)

 

InChI:InChI=1S/C10H7NO2/c11-6-7-1-2-10-8(5-7)9(12)3-4-13-10/h1-2,5H,3-4H2

InChI Key:FVBMSIFHHAWXLT-UHFFFAOYSA-N

Canonical SMILES:C1COC2=C(C1=O)C=C(C=C2)C#N

Specification

98%
References

PCT Int. Appl. (2014), WO 2014138484 A1 20140912.

PCT Int. Appl. (2012), WO 2012061459 A1 20120510. 
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