Cas no 727736-62-1 (Methyl 5-hydroxypyridine-2-carboxylate 1-oxide)
727736-62-1 structure
Product Name:Methyl 5-hydroxypyridine-2-carboxylate 1-oxide
CAS No:727736-62-1
MF:C7H7NO4
MW:169.134782075882
CID:559043
Update Time:2023-08-02
Methyl 5-hydroxypyridine-2-carboxylate 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylicacid, 5-hydroxy-, methyl ester, 1-oxide
- 2-Pyridinecarboxylicacid,5-hydroxy-,methylester,1-oxide(9CI)
- JCJGBFFYKMMWHX-UHFFFAOYSA-N
- Methyl 5-hydroxypyridine-2-carboxylate 1-oxide
- 2-Pyridinecarboxylic acid, 5-hydroxy-, methyl ester, 1-oxide
-
- Inchi： 1S/C7H7NO4/c1-12-7(10)6-3-2-5(9)4-8(6)11/h2-4,9H,1H3
- InChI Key： JCJGBFFYKMMWHX-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=CC(=C[N+]=1[O-])O)=O
Computed Properties
- Exact Mass: 169.038
- Monoisotopic Mass: 169.038
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 173
- 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: 72
Methyl 5-hydroxypyridine-2-carboxylate 1-oxide Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
727736-62-1 (Methyl 5-hydroxypyridine-2-carboxylate 1-oxide) Related Products
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