Cas no 110443-51-1 (6-Quinolinecarboxylic acid, ethyl ester, 1-oxide)
110443-51-1 structure
Product Name:6-Quinolinecarboxylic acid, ethyl ester, 1-oxide
CAS No:110443-51-1
MF:C12H11NO3
MW:217.220643281937
CID:1193563
PubChem ID:66978164
Update Time:2025-04-20
6-Quinolinecarboxylic acid, ethyl ester, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 6-Quinolinecarboxylic acid, ethyl ester, 1-oxide
- ethyl 1-oxidoquinolin-1-ium-6-carboxylate
- DB-207810
- ZWJSAXUONDRCOV-UHFFFAOYSA-N
- Ethyl 1-oxo-1lambda~5~-quinoline-6-carboxylate
- 6-(ethoxycarbonyl)quinoline 1-oxide
- SCHEMBL1285549
- 110443-51-1
- DTXSID40736139
-
- Inchi: 1S/C12H11NO3/c1-2-16-12(14)10-5-6-11-9(8-10)4-3-7-13(11)15/h3-8H,2H2,1H3
- InChI Key: ZWJSAXUONDRCOV-UHFFFAOYSA-N
- SMILES: O(CC)C(C1C=CC2C(=CC=C[N+]=2[O-])C=1)=O
Computed Properties
- Exact Mass: 217.07393
- Monoisotopic Mass: 217.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- 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
- XLogP3: 0.8
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 53.24
6-Quinolinecarboxylic acid, ethyl ester, 1-oxide Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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