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trans-4-Ethynylcyclohexanecarbonitrile
[CAS# 88075-29-0]

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Identification
Name trans-4-Ethynylcyclohexanecarbonitrile
Synonyms (1r,4r)-4-ethynylcyclohexanecarbonitrile
Molecular Structure CAS#: 88075-29-0, trans-4-Ethynylcyclohexanecarbonitrile
Molecular Formula C9H11N
Molecular Weight 133.19
CAS Registry Number 88075-29-0
SMILES C#C[C@H]1CC[C@@H](CC1)C#N
InChI 1S/C9H11N/c1-2-8-3-5-9(7-10)6-4-8/h1,8-9H,3-6H2/t8-,9-
InChIKey JBWTTWXQGVTJRL-KYZUINATSA-N
Properties
Density 1.0±0.1g/cm3 (Cal.)
Boiling point 226.5±29.0°C at 760 mmHg (Cal.)
Flash point 90.6±16.8°C (Cal.)
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