Cas no 59736-05-9 (3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-6-hydroxy-2-oxo-)
59736-05-9 structure
Product Name:3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-6-hydroxy-2-oxo-
CAS No:59736-05-9
MF:C8H8N2O2
MW:164.161321640015
CID:335319
PubChem ID:23338703
Update Time:2025-04-19
3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-6-hydroxy-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-6-hydroxy-2-oxo-
- 1-ethyl-2-hydroxy-6-oxopyridine-3-carbonitrile
- 1-Ethyl-2-hydroxy-6-oxo-1,6-dihydropyridine-3-carbonitrile
- 59736-05-9
- SCHEMBL8087890
- DTXSID40633093
-
- Inchi： 1S/C8H8N2O2/c1-2-10-7(11)4-3-6(5-9)8(10)12/h3-4,12H,2H2,1H3
- InChI Key： RGYRQLKAYGJIMC-UHFFFAOYSA-N
- SMILES： OC1=C(C#N)C=CC(N1CC)=O
Computed Properties
- Exact Mass: 164.058577502g/mol
- Monoisotopic Mass: 164.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 319
- 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: 0.6
- Topological Polar Surface Area: 64.3?2
3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-6-hydroxy-2-oxo- Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
59736-05-9 (3-Pyridinecarbonitrile, 1-ethyl-1,2-dihydro-6-hydroxy-2-oxo-) Related Products
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