Cas no 39120-56-4 (1,2-Dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile, sodium salt)
39120-56-4 structure
Product Name:1,2-Dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile, sodium salt
CAS No:39120-56-4
MF:C7H5N2NaO2
MW:172.116572141647
CID:321479
PubChem ID:56842681
Update Time:2025-04-19
1,2-Dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile, sodium salt Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile, sodium salt
- sodium,5-cyano-4-methyl-6-oxo-1H-pyridin-2-olate
- EINECS 254-302-4
- 39120-56-4
- 1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXONICOTINONITRILE,SODIUM SALT
- sodium;5-cyano-4-methyl-6-oxo-1H-pyridin-2-olate
- DTXSID60192374
-
- Inchi： 1S/C7H6N2O2.Na/c1-4-2-6(10)9-7(11)5(4)3-8;/h2H,1H3,(H2,9,10,11);/q;+1/p-1
- InChI Key： XUIVGYDECFYVGU-UHFFFAOYSA-M
- SMILES： [Na+].[O-]C1=CC(C)=C(C#N)C(N1)=O
Computed Properties
- Exact Mass: 172.02500
- Monoisotopic Mass: 527.968794
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 20
- Heavy Atom Count: 31
- Rotatable Bond Count: 9
- Complexity: 760
- 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: 62.8
Experimental Properties
- Boiling Point: °Cat760mmHg
- Flash Point: °C
- PSA: 79.71000
- LogP: 0.69878
1,2-Dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile, sodium salt Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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