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5-Acetylbicyclo[4.2.0]Octa-1,3,5-Triene-7-Carbonitrile
[CAS# 367263-86-3]

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Identification
Name 5-Acetylbicyclo[4.2.0]Octa-1,3,5-Triene-7-Carbonitrile
Synonyms 5-acetylbicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
Molecular Structure CAS#: 367263-86-3, 5-Acetylbicyclo[4.2.0]Octa-1,3,5-Triene-7-Carbonitrile
Molecular Formula C11H9NO
Molecular Weight 171.20
CAS Registry Number 367263-86-3
SMILES CC(=O)c1cccc2CC(C#N)c12
InChI 1S/C11H9NO/c1-7(13)10-4-2-3-8-5-9(6-12)11(8)10/h2-4,9H,5H2,1H3
InChIKey KXZDPVISANUYNB-UHFFFAOYSA-N
Properties
Density 1.188g/cm3 (Cal.)
Boiling point 352.806°C at 760 mmHg (Cal.)
Flash point 167.171°C (Cal.)
Refractive index 1.579 (Cal.)
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