2-Oxocyclohexanepropanenitrile

CAS Registry Number®

4594-78-9
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CAS Name

2-Oxocyclohexanepropanenitrile

Molecular Formula

C9H13NO

Molecular Mass

151.21

Cite this Page

2-Oxocyclohexanepropanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4594-78-9 (retrieved 2024-04-20) (CAS RN: 4594-78-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    138-142 °C @ Press: 10 Torr

  • Melting Point (2)

    61-62 °C

  • Density (3)

    1.002 g/cm³ @ Temp: 420 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h8H,1-6H2

InChIKey

InChIKey=SPTVCXKSSRBTMN-UHFFFAOYSA-N

SMILES

C(CC#N)C1C(=O)CCCC1

Canonical SMILES

N#CCCC1C(=O)CCCC1

Other Names for this Substance

  • Cyclohexanepropanenitrile, 2-oxo-
  • Cyclohexanepropionitrile, 2-oxo-
  • 2-Oxocyclohexanepropanenitrile
  • 2-(2-Cyanoethyl)cyclohexanone
  • 2-(β-Cyanoethyl)cyclohexanone

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Deleted or Replaced CAS Registry Numbers

58769-43-0

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