3,3'-[propane-1,3-d...

3,3'-[propane-1,3-diylbis(oxy)]dipropanenitrile(CAS No. 55526-40-4)

3,3'-[propane-1,3-diylbis(oxy)]dipropanenitrile(CAS No. 55526-40-4)

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  • Purity: 99%
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Keywords

3-[3-(2-cyanoethoxy)propoxy]propanenitrile 55526-40-4 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
3,3'-[propane-1,3-diylbis(oxy)]dipropanenitrile
【CAS Registry number】
55526-40-4
【Synonyms】
3,3'
-[propane-1,3-diylbis(oxy)]dipropanenitrile
NSC69066
AC1L5GWX
AC1Q4SG4
AR-1E8531
NSC-69066
3-[3-(2-cyanoethoxy)propoxy]propanenitrile
【Molecular Formula】
C9H14N2O2 (Products with the same molecular formula)
【Molecular Weight】
182.2197
【Inchi】
InChI=1/C9H14N2O2/c10-4-1-6-12-8-3-9-13-7-2-5-11/h1-3,6-9H2
【Canonical SMILES】
C(COCCC#N)COCCC#N
Chemical and Physical Properties
【Density】
1.031g/cm3
【Boiling Point】
368°C at 760 mmHg
【Refractive Index】
1.445
【Flash Point】
155°C
【Computed Properties】
Molecular Weight:182.21966 [g/mol]
Molecular Formula:C9H14N2O2
XLogP3-AA:-0.3
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:8
Exact Mass:182.105528
MonoIsotopic Mass:182.105528
Topological Polar Surface Area:66
Heavy Atom Count:13
Formal Charge:0
Complexity:176
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:4
Effective Rotor Count:8
Conformer Sampling RMSD:0.8
CID Conformer Count:125

 

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