Cas no 857541-71-0 (4-(2-ethoxyethoxy)benzonitrile)
857541-71-0 structure
Product Name:4-(2-ethoxyethoxy)benzonitrile
CAS No:857541-71-0
MF:C11H13NO2
MW:191.226423025131
CID:1841123
PubChem ID:28411290
Update Time:2025-04-21
4-(2-ethoxyethoxy)benzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(2-ethoxyethoxy)benzonitrile
- SCHEMBL25345889
- DB-315686
- AKOS000221687
- 857541-71-0
-
- Inchi： 1S/C11H13NO2/c1-2-13-7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,2,7-8H2,1H3
- InChI Key： BPEBETYSJATSLY-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C#N)=CC=1)CCOCC
Computed Properties
- Exact Mass: 191.094628657g/mol
- Monoisotopic Mass: 191.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 189
- 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: 1.8
- Topological Polar Surface Area: 42.2?2
4-(2-ethoxyethoxy)benzonitrile Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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