Cas no 41600-42-4 (2,6-Pyridinedicarboxylicacid, 1,4-dihydro-1-methyl-4-oxo-)
41600-42-4 structure
Product Name:2,6-Pyridinedicarboxylicacid, 1,4-dihydro-1-methyl-4-oxo-
CAS No:41600-42-4
MF:C8H7NO5
MW:197.144882440567
CID:330204
PubChem ID:351213
Update Time:2025-04-19
2,6-Pyridinedicarboxylicacid, 1,4-dihydro-1-methyl-4-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 2,6-Pyridinedicarboxylicacid, 1,4-dihydro-1-methyl-4-oxo-
- 1-methyl-4-oxo-pyridine-2,6-dicarboxylic acid
- 1-methyl-4-oxopyridine-2,6-dicarboxylic acid
- 1-Methyl-4-oxo-1,4-dihydro-pyridin-2,6-dicarbonsaeure
- 1-methyl-4-oxo-1,4-dihydro-pyridine-2,6-dicarboxylic acid
- 2,6-Pyridinedicarboxylicacid,1,4-dihydro-1-methyl-4-oxo
- N-Methyl-chelidamsaeure
- 1-Methyl-4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid
- NSC-519726
- DTXSID90325835
- NSC519726
- 41600-42-4
-
- Inchi： 1S/C8H7NO5/c1-9-5(7(11)12)2-4(10)3-6(9)8(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
- InChI Key： QUNFDTYCFVEXMA-UHFFFAOYSA-N
- SMILES： O=C1C=C(C(=O)O)N(C)C(C(=O)O)=C1
Computed Properties
- Exact Mass: 197.03200
- Monoisotopic Mass: 197.03242232g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 345
- 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: -0.2
- Topological Polar Surface Area: 94.9?2
Experimental Properties
- PSA: 96.60000
- LogP: -0.21830
2,6-Pyridinedicarboxylicacid, 1,4-dihydro-1-methyl-4-oxo- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
41600-42-4 (2,6-Pyridinedicarboxylicacid, 1,4-dihydro-1-methyl-4-oxo-) Related Products
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