Cas no 89663-05-8 (3,4-Pyridinedicarboxylic acid, dimethyl ester, 1-oxide)
89663-05-8 structure
Product Name:3,4-Pyridinedicarboxylic acid, dimethyl ester, 1-oxide
CAS No:89663-05-8
MF:C9H9NO5
MW:211.171462774277
CID:592967
PubChem ID:11020176
Update Time:2025-04-19
3,4-Pyridinedicarboxylic acid, dimethyl ester, 1-oxide Chemical and Physical Properties
Names and Identifiers
-
- 3,4-Pyridinedicarboxylic acid, dimethyl ester, 1-oxide
- dimethyl 1-oxidopyridin-1-ium-3,4-dicarboxylate
- DTXSID50452156
- SCHEMBL1011953
- 89663-05-8
- SY320519
- 3,4-Bis(methoxycarbonyl)pyridine 1-Oxide
-
- Inchi： 1S/C9H9NO5/c1-14-8(11)6-3-4-10(13)5-7(6)9(12)15-2/h3-5H,1-2H3
- InChI Key： GCEUJXYKADAHTD-UHFFFAOYSA-N
- SMILES： O(C)C(C1C=[N+](C=CC=1C(=O)OC)[O-])=O
Computed Properties
- Exact Mass: 211.04807239g/mol
- Monoisotopic Mass: 211.04807239g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 255
- 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: -0.4
- Topological Polar Surface Area: 78.1?2
3,4-Pyridinedicarboxylic acid, dimethyl ester, 1-oxide Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
89663-05-8 (3,4-Pyridinedicarboxylic acid, dimethyl ester, 1-oxide) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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