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CAS Number: 21917-88-4
6,7-dihydroisoquinolin-8(5H)-one

Structure

6,7-dihydroisoquinolin-8(5H)-one
Name: 6,7-dihydroisoquinolin-8(5H)-one
Synonyms:
General Information
Product Number: 21917884

CAS Registry Number 21917-88-4
Name:
8(5H)?-?Isoquinolinone, 6,?7-?dihydro-
8(5H)-Isoquinolone, 6,7-dihydro- (8CI)
5,6-Dihydro-7H-isoquinolin-8-one
5,6-Dihydroisoquinolin-8(7H)-one
6,7-Dihydro-5H-isoquinolin-8-one

 

Chemical Formula: C9H9NO
Exact Mass: 147.07
Molecular Weight: 147.17
m/z: 147.07 (100.0%), 148.07 (10.2%)

 

InChI:InChI=1S/C9H9NO/c11-9-3-1-2-7-4-5-10-6-8(7)9/h4-6H,1-3H2

InChI Key:WFZAOWUFFCIBNP-UHFFFAOYSA-N

Canonical SMILES:C1CC2=C(C=NC=C2)C(=O)C1

 

Thermal Properties Value Condition Note
Boiling Point 123-124 °C Press: 4 Torr (1)CAS
Melting Point 42-44 °C   (2)CAS

Specification

98%

References
  1. (1) Sugimoto, Norio; Yakugaku Zasshi 1956, V76, P1308-10 CAPLUS
  2. (2) Kumar, R. Arun; Advanced Synthesis & Catalysis 2011, V353(2+3), P401-410 CAPLUS
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