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Home >> Chemical Listing >> Page 420 >> 4-Isopropyl-7-Oxo-1,3,5-Cycloheptatriene-1-Carbonitrile

4-Isopropyl-7-Oxo-1,3,5-Cycloheptatriene-1-Carbonitrile
[CAS# 13785-60-9]

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Identification
Name 4-Isopropyl-7-Oxo-1,3,5-Cycloheptatriene-1-Carbonitrile
Synonyms 4-isopropyl-7-oxocyclohepta-1,3,5-trienecarbonitrile
Molecular Structure CAS#: 13785-60-9, 4-Isopropyl-7-Oxo-1,3,5-Cycloheptatriene-1-Carbonitrile
Molecular Formula C11H11NO
Molecular Weight 173.21
CAS Registry Number 13785-60-9
SMILES CC(C)c1ccc(c(=O)cc1)C#N
InChI 1S/C11H11NO/c1-8(2)9-3-4-10(7-12)11(13)6-5-9/h3-6,8H,1-2H3
InChIKey ZQEMHTWEUWEATH-UHFFFAOYSA-N
Properties
Density 1.063g/cm3 (Cal.)
Boiling point 302.999°C at 760 mmHg (Cal.)
Flash point 137.049°C (Cal.)
Refractive index 1.529 (Cal.)
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