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CAS Number: 1309955-20-1
6-ethynyl-3,4-dihydroisoquinolin-1(2H)-one

Structure

6-ethynyl-3,4-dihydroisoquinolin-1(2H)-one
Name: 6-ethynyl-3,4-dihydroisoquinolin-1(2H)-one
Synonyms:
General Information
Product Number: 1309955201

CAS Registry Number 1309955-20-1
Name:
1(2H)?-?Isoquinolinone, 6-?ethynyl-?3,?4-?dihydro-

 

Chemical Formula: C11H9NO
Exact Mass: 171.07
Molecular Weight: 171.20
m/z: 171.07 (100.0%), 172.07 (12.4%)

 

InChI:InChI=1S/C11H9NO/c1-2-8-3-4-10-9(7-8)5-6-12-11(10)13/h1,3-4,7H,5-6H2,(H,12,13)

InChI Key:FQBODSWDTZFTRJ-UHFFFAOYSA-N

Canonical SMILES:C#CC1=CC2=C(C=C1)C(=O)NCC2

 

Thermal Properties Value Condition Note
Melting Point 157-159 °C   (1)CAS

Specification

98%

References

(1) Ortega, Raquel; Bioorganic & Medicinal Chemistry Letters 2011, V21(9), P2670-2674 CAPLUS

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