Cas no 71411-93-3 (Benzonitrile,2,6-diethoxy-)
Benzonitrile,2,6-diethoxy- structure
Product Name:Benzonitrile,2,6-diethoxy-
CAS No:71411-93-3
MF:C11H13NO2
MW:191.226423025131
CID:579585
PubChem ID:3018118
Update Time:2025-04-19
Benzonitrile,2,6-diethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,2,6-diethoxy-
- 2,6-Diethoxybenzonitrile
- DTXSID80991760
- 71411-93-3
- NS00062052
- EINECS 275-400-3
-
- Inchi： 1S/C11H13NO2/c1-3-13-10-6-5-7-11(14-4-2)9(10)8-12/h5-7H,3-4H2,1-2H3
- InChI Key： LYAUUADPQLFBTG-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC=C(C=1C#N)OCC
Computed Properties
- Exact Mass: 191.09469
- 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: 4
- Complexity: 195
- 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: 2.3
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- PSA: 42.25
Benzonitrile,2,6-diethoxy- Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
71411-93-3 (Benzonitrile,2,6-diethoxy-) Related Products
- 2571-54-2(2,4,6-Trimethoxybenzonitrile)
- 16932-49-3(2,6-Dimethoxybenzonitrile)
- 6609-57-0(2-Ethoxybenzonitrile)
- 167832-66-8(2-(Benzyloxy)-6-methoxybenzonitrile)
- 313655-45-7(2-(2-Hydroxyethoxy)-benzonitrile)
- 548472-47-5(2-Isopropoxy-4-methoxybenzonitrile)
- 4107-65-7(2,4-Dimethoxybenzonitrile)
- 6609-58-1(2-Propoxybenzonitrile)
- 94088-47-8(2,6-Dibenyloxy benzonitrile)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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