Cas no 91569-71-0 (5-Quinolinecarboxylicacid, 8-ethoxy-)
91569-71-0 structure
Product Name:5-Quinolinecarboxylicacid, 8-ethoxy-
CAS No:91569-71-0
MF:C12H11NO3
MW:217.220643281937
CID:799911
PubChem ID:45117425
Update Time:2025-04-19
5-Quinolinecarboxylicacid, 8-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 5-Quinolinecarboxylicacid, 8-ethoxy-
- 5-Quinolinecarboxylicacid,8-ethoxy-(7CI)
- 8-ethoxyquinoline-5-carboxylic acid
- 91569-71-0
- DTXSID10668610
-
- Inchi： 1S/C12H11NO3/c1-2-16-10-6-5-9(12(14)15)8-4-3-7-13-11(8)10/h3-7H,2H2,1H3,(H,14,15)
- InChI Key： SHCQGJZZTKSOIB-UHFFFAOYSA-N
- SMILES： O(CC)C1=CC=C(C(=O)O)C2=CC=CN=C21
Computed Properties
- Exact Mass: 217.074
- Monoisotopic Mass: 217.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 257
- 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: 59.4A^2
- XLogP3: 2.1
5-Quinolinecarboxylicacid, 8-ethoxy- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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