Cas no 79233-73-1 (2,6-Pyridinedicarboxylic acid, 1,1-dimethylethyl methyl ester)
79233-73-1 structure
Product Name:2,6-Pyridinedicarboxylic acid, 1,1-dimethylethyl methyl ester
CAS No:79233-73-1
MF:C12H15NO4
MW:237.251803636551
CID:1799833
PubChem ID:86008987
Update Time:2025-04-21
2,6-Pyridinedicarboxylic acid, 1,1-dimethylethyl methyl ester Chemical and Physical Properties
Names and Identifiers
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- 2,6-Pyridinedicarboxylic acid, 1,1-dimethylethyl methyl ester
- 2-tert-Butyl 6-methyl pyridine-2,6-dicarboxylate
- 2-(tert-butyl) 6-methyl pyridine-2,6-dicarboxylate
- 79233-73-1
- DB-408465
- 2-(1,1-Dimethylethyl) 6-methyl 2,6-pyridinedicarboxylate
- DTXSID301202836
-
- Inchi： 1S/C12H15NO4/c1-12(2,3)17-11(15)9-7-5-6-8(13-9)10(14)16-4/h5-7H,1-4H3
- InChI Key： OEQUBNFISYFEEG-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C(=O)OC)N=1)=O)C(C)(C)C
Computed Properties
- Exact Mass: 237.10010796g/mol
- Monoisotopic Mass: 237.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 295
- 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: 65.5?2
2,6-Pyridinedicarboxylic acid, 1,1-dimethylethyl methyl ester Related Literature
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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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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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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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