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2-Heptyl-2-cyclohexen-1-one
[CAS# 87588-68-9]

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Identification
Name 2-Heptyl-2-cyclohexen-1-one
Synonyms 2-Heptyl-2-cyclohexenone
Molecular Structure CAS#: 87588-68-9, 2-Heptyl-2-cyclohexen-1-one
Molecular Formula C13H22O
Molecular Weight 194.31
CAS Registry Number 87588-68-9
SMILES O=C1CCC\C=C1\CCCCCCC
InChI 1S/C13H22O/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h10H,2-9,11H2,1H3
InChIKey HBAHZZVIEFRTEY-UHFFFAOYSA-N
Properties
Density 0.907g/cm3 (Cal.)
Boiling point 293.058°C at 760 mmHg (Cal.)
Flash point 127.033°C (Cal.)
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