Cas no 500900-74-3 (Benzonitrile, 2,2'-[1,10-decanediylbis(oxy)]bis-)
500900-74-3 structure
Product Name:Benzonitrile, 2,2'-[1,10-decanediylbis(oxy)]bis-
CAS No:500900-74-3
MF:C24H28N2O2
MW:376.491326332092
CID:365752
PubChem ID:300437
Update Time:2025-04-19
Benzonitrile, 2,2'-[1,10-decanediylbis(oxy)]bis- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 2,2'-[1,10-decanediylbis(oxy)]bis-
- 2-[10-(2-cyanophenoxy)decoxy]benzonitrile
- DTXSID80306274
- NSC-174855
- NSC174855
- 500900-74-3
-
- Inchi: 1S/C24H28N2O2/c25-19-21-13-7-9-15-23(21)27-17-11-5-3-1-2-4-6-12-18-28-24-16-10-8-14-22(24)20-26/h7-10,13-16H,1-6,11-12,17-18H2
- InChI Key: YLYVJTRBQSMRDI-UHFFFAOYSA-N
- SMILES: O(C1C=CC=CC=1C#N)CCCCCCCCCCOC1C=CC=CC=1C#N
Computed Properties
- Exact Mass: 376.21524
- Monoisotopic Mass: 376.215078140g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 28
- Rotatable Bond Count: 13
- Complexity: 457
- 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: 6.6
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 66.04
Benzonitrile, 2,2'-[1,10-decanediylbis(oxy)]bis- Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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