Cas no 859938-23-1 (4-Quinolinecarbonitrile,2-ethoxy-)
859938-23-1 structure
Product Name:4-Quinolinecarbonitrile,2-ethoxy-
CAS No:859938-23-1
MF:C12H10N2O
MW:198.22060251236
CID:718095
PubChem ID:53485637
Update Time:2025-04-19
4-Quinolinecarbonitrile,2-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 4-Quinolinecarbonitrile,2-ethoxy-
- Cinchoninonitrile, 2-ethoxy- (3CI)
- DTXSID70704725
- FT-0744827
- 859938-23-1
- 2-ethoxyquinoline-4-carbonitrile
- AKOS013199505
-
- Inchi： 1S/C12H10N2O/c1-2-15-12-7-9(8-13)10-5-3-4-6-11(10)14-12/h3-7H,2H2,1H3
- InChI Key： IIEWEOBJLYFZEH-UHFFFAOYSA-N
- SMILES： O(CC)C1=CC(C#N)=C2C=CC=CC2=N1
Computed Properties
- Exact Mass: 198.079
- Monoisotopic Mass: 198.079
- 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
- Topological Polar Surface Area: 45.9A^2
- XLogP3: 2.6
4-Quinolinecarbonitrile,2-ethoxy- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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