Cas no 91013-21-7 (4-Pyridinecarboxylicacid, 6-ethoxy-1,2-dihydro-2-oxo-, ethyl ester)
91013-21-7 structure
Product Name:4-Pyridinecarboxylicacid, 6-ethoxy-1,2-dihydro-2-oxo-, ethyl ester
CAS No:91013-21-7
MF:C10H13NO4
MW:211.214523077011
CID:799111
PubChem ID:45094262
Update Time:2025-04-19
4-Pyridinecarboxylicacid, 6-ethoxy-1,2-dihydro-2-oxo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 4-Pyridinecarboxylicacid, 6-ethoxy-1,2-dihydro-2-oxo-, ethyl ester
- Isonicotinic acid, 2-ethoxy-6-hydroxy-, ethyl ester (7CI)
- Isonicotinic acid,2-ethoxy-6-hydroxy-,ethyl ester(7ci)
- SCHEMBL19330218
- Ethyl 6-ethoxy-2-oxo-1,2-dihydro-4-pyridinecarboxylate
- 91013-21-7
-
- Inchi： 1S/C10H13NO4/c1-3-14-9-6-7(5-8(12)11-9)10(13)15-4-2/h5-6H,3-4H2,1-2H3,(H,11,12)
- InChI Key： DKIFUDPNEJDBDT-UHFFFAOYSA-N
- SMILES： O(CC)C1=CC(C(=O)OCC)=CC(N1)=O
Computed Properties
- Exact Mass: 211.084
- Monoisotopic Mass: 211.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 330
- 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: 64.6A^2
- XLogP3: 0.7
4-Pyridinecarboxylicacid, 6-ethoxy-1,2-dihydro-2-oxo-, ethyl ester Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
91013-21-7 (4-Pyridinecarboxylicacid, 6-ethoxy-1,2-dihydro-2-oxo-, ethyl ester) Related Products
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