Cas no 861577-96-0 (Cinchoninonitrile, 6-ethoxy- (1CI))
861577-96-0 structure
Product Name:Cinchoninonitrile, 6-ethoxy- (1CI)
CAS No:861577-96-0
MF:C12H10N2O
MW:198.22060251236
CID:1057670
PubChem ID:57354854
Update Time:2025-04-20
Cinchoninonitrile, 6-ethoxy- (1CI) Chemical and Physical Properties
Names and Identifiers
-
- Cinchoninonitrile, 6-ethoxy- (1CI)
- 6-ethoxyquinoline-4-carbonitrile
- 861577-96-0
- DTXSID20722757
- DB-219840
- 6-Ethoxy-4-quinolinecarbonitrile
-
- Inchi： 1S/C12H10N2O/c1-2-15-10-3-4-12-11(7-10)9(8-13)5-6-14-12/h3-7H,2H2,1H3
- InChI Key： FNLVEUOYGPHYAK-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC2C(=C(C#N)C=CN=2)C=1
Computed Properties
- Exact Mass: 198.079312947g/mol
- Monoisotopic Mass: 198.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 258
- 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: 45.9?2
Cinchoninonitrile, 6-ethoxy- (1CI) Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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