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CAS Number: 776328-39-3
8-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

Structure

 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
Name: 8-oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
Synonyms:
General Information
Product Number: 776328393

CAS Registry Number 776328-39-3
Name:
2-?Naphthalenecarbonitr?ile, 5,?6,?7,?8-?tetrahydro-?8-?oxo-
8-Oxo-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

 

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/c12-7-8-4-5-9-2-1-3-11(13)10(9)6-8/h4-6H,1-3H2

InChI Key:WXWZWMNHMVQTPS-UHFFFAOYSA-N

Canonical SMILES:C1CC2=C(C=C(C=C2)C#N)C(=O)C1

 

Thermal Properties Value Condition Note
Melting Point 154 °C Solv: ligroine (8032-32-4) (1)CAS

Specification

98%
References
  1. (1) Ulmschneider, Sarah; Journal of Medicinal Chemistry 2005, V48(6), P1796-1805 CAPLUS
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