Cas no 1874-85-7 (3-(2,6-Dioxocyclohexyl)propanenitrile)

3-(2,6-Dioxocyclohexyl)propanenitrile structure
1874-85-7 structure
Product Name:3-(2,6-Dioxocyclohexyl)propanenitrile
CAS No:1874-85-7
MF:C9H11NO2
MW:165.189142465591
CID:139594
PubChem ID:293640
Update Time:2025-04-19

3-(2,6-Dioxocyclohexyl)propanenitrile Chemical and Physical Properties

Names and Identifiers

    • 3-(2,6-Dioxocyclohexyl)propanenitrile
    • 1-< 2-Cyano-ethyl-(1)> -cyclohexandion-(2,6)
    • 2-(2-Cyan-ethyl)-cyclohexan-1,3-dion
    • 2-(2-Cyan-ethyl)-dihydroresorcin
    • 2-< 2-Cyan-ethyl> -cyclohexandion-(1.3)
    • 3-(2,6-Dioxo-cyclohexyl)-propionitril
    • 3-(2,6-dioxo-cyclohexyl)-propionitrile
    • AC1L6KML
    • AC1Q6DEV
    • BTBG00003
    • CTK0H4999
    • Maybridge3_000985
    • NSC160503
    • SureCN7611199
    • 2,6-Dioxocyclohexanepropanenitrile
    • 2,6-Dioxocyclohexane-1-propanenitrile
    • 2-(2-Cyanoethyl)cyclohexane-1,3-dione
    • 2-(2-Cyanoethyl)-cyclohexane-1,3-dione
    • 3-(1,3-Dioxocyclohexan-2-yl)propionitrile
    • DTXSID60172055
    • NSC 160503
    • SCHEMBL7611199
    • AKOS006274348
    • 1874-85-7
    • HMS1433M17
    • BA2DK6L7WE
    • IDI1_012372
    • Cyclohexanepropanenitrile, 2,6-dioxo-
    • NS00016400
    • NSC-160503
    • Inchi： 1S/C9H11NO2/c10-6-2-3-7-8(11)4-1-5-9(7)12/h7H,1-5H2
    • InChI Key： LQVPJLFILJGCEX-UHFFFAOYSA-N
    • SMILES： O=C1CCCC(C1CCC#N)=O

Computed Properties

  • Exact Mass: 165.07903
  • Monoisotopic Mass: 165.079
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 233
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.1
  • Topological Polar Surface Area: 57.9?2

Experimental Properties

  • Density: 1.124
  • Boiling Point: 373.5°Cat760mmHg
  • Flash Point: 179.7°C
  • Refractive Index: 1.48
  • PSA: 57.93
  • LogP: 1.22848

3-(2,6-Dioxocyclohexyl)propanenitrile Related Literature

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