Cas no 70159-58-9 (2,3-dimethyl-1-oxo-4-(2,3,4-trimethoxyphenyl)-1,2-dihydropyridinium)
70159-58-9 structure
Product Name:2,3-dimethyl-1-oxo-4-(2,3,4-trimethoxyphenyl)-1,2-dihydropyridinium
CAS No:70159-58-9
MF:C16H19NO4
MW:289.32636475563
CID:974685
PubChem ID:494235
Update Time:2025-04-19
2,3-dimethyl-1-oxo-4-(2,3,4-trimethoxyphenyl)-1,2-dihydropyridinium Chemical and Physical Properties
Names and Identifiers
-
- 2,3-dimethyl-1-oxo-4-(2,3,4-trimethoxyphenyl)-1,2-dihydropyridinium
- 2,3-dimethyl-1-oxido-4-(2,3,4-trimethoxyphenyl)pyridin-1-ium
- NSC326626
- NSC 326626
- Pyridine, 2,3-dimethyl-4-(2,3,4-trimethoxyphenyl)-, 1-oxide
- 2,3-Dimethyl-4-(2,3,4-trimethoxyphenyl)-1lambda(5)-pyridin-1-ol
- 2,3-Dimethyl-4-(2,3,4-trimethoxyphenyl)-1.lambda.~5~-pyridin-1-ol
- NSC-326626
- 70159-58-9
- DTXSID70220430
- E4CK532RBQ
-
- Inchi： 1S/C16H19NO4/c1-10-11(2)17(18)9-8-12(10)13-6-7-14(19-3)16(21-5)15(13)20-4/h6-9H,1-5H3
- InChI Key： TUVOKZCAYVQDGH-UHFFFAOYSA-N
- SMILES： O(C)C1C(=C(C=CC=1C1C=C[N+](=C(C)C=1C)[O-])OC)OC
Computed Properties
- Exact Mass: 290.1393
- Monoisotopic Mass: 289.13140809g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 327
- 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: 2.2
- Topological Polar Surface Area: 53.2?2
Experimental Properties
- PSA: 47.77
2,3-dimethyl-1-oxo-4-(2,3,4-trimethoxyphenyl)-1,2-dihydropyridinium Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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