Cas no 137840-06-3 (3,5-Pyridinedicarboxylic acid, 1,2-dihydro-)
137840-06-3 structure
Product Name:3,5-Pyridinedicarboxylic acid, 1,2-dihydro-
CAS No:137840-06-3
MF:C7H7NO4
MW:169.134782075882
CID:1246477
PubChem ID:434902
Update Time:2025-04-20
3,5-Pyridinedicarboxylic acid, 1,2-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Pyridinedicarboxylic acid, 1,2-dihydro-
- 1,2-dihydropyridine-3,5-dicarboxylic acid
- SCHEMBL3396869
- 1,2-dihydropyridine-3,5-dicarboxylic
- 137840-06-3
- DTXSID30331071
-
- Inchi： 1S/C7H7NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-2,8H,3H2,(H,9,10)(H,11,12)
- InChI Key： YIEDXDAMWYTGHE-UHFFFAOYSA-N
- SMILES： OC(C1=CC(C(=O)O)=CNC1)=O
Computed Properties
- Exact Mass: 169.03751
- Monoisotopic Mass: 169.03750770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 290
- 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: 86.6?2
Experimental Properties
- PSA: 86.63
3,5-Pyridinedicarboxylic acid, 1,2-dihydro- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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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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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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