Cas no 3055-91-2 (Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis-)
3055-91-2 structure
Product Name:Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis-
CAS No:3055-91-2
MF:C12H12N2O2
MW:216.235882759094
CID:1443343
PubChem ID:458383
Update Time:2025-04-20
Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis- Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis-
- 3-[4-(2-cyanoethoxy)phenoxy]propanenitrile
- 3,3'-(1,4-PHENYLENEDIOXY)DIPROPIONITRILE
- 3,3'-[1,4-phenylenebis(oxy)]dipropanenitrile
- Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis- (9CI)
- AKOS002271099
- MFCD00019865
- DTXSID00332510
- beta, beta-(p-Phenylenedioxy) dipropionitrile
- 3055-91-2
- SCHEMBL11767977
-
- Inchi: 1S/C12H12N2O2/c13-7-1-9-15-11-3-5-12(6-4-11)16-10-2-8-14/h3-6H,1-2,9-10H2
- InChI Key: OPQLPLKJQFYQHD-UHFFFAOYSA-N
- SMILES: O(CCC#N)C1C=CC(=CC=1)OCCC#N
Computed Properties
- Exact Mass: 216.08996
- Monoisotopic Mass: 216.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 248
- 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: 1.2
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 66.04
Propanenitrile, 3,3'-[1,4-phenylenebis(oxy)]bis- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
-
L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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