Cas no 89032-18-8 (2-Pyridinecarboxylic acid, 4,5-bis(1,1-dimethylethyl)-)
89032-18-8 structure
Product Name:2-Pyridinecarboxylic acid, 4,5-bis(1,1-dimethylethyl)-
CAS No:89032-18-8
MF:C14H21NO2
MW:235.32204413414
CID:615151
PubChem ID:13244749
Update Time:2025-04-19
2-Pyridinecarboxylic acid, 4,5-bis(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylic acid, 4,5-bis(1,1-dimethylethyl)-
- 4,5-ditert-butylpyridine-2-carboxylic acid
- 89032-18-8
- DTXSID80531544
- 4,5-Di-tert-butylpyridine-2-carboxylic acid
-
- Inchi： 1S/C14H21NO2/c1-13(2,3)9-7-11(12(16)17)15-8-10(9)14(4,5)6/h7-8H,1-6H3,(H,16,17)
- InChI Key： ITRQMFJWVZODSF-UHFFFAOYSA-N
- SMILES： OC(C1=CC(=C(C=N1)C(C)(C)C)C(C)(C)C)=O
Computed Properties
- Exact Mass: 235.157228913g/mol
- Monoisotopic Mass: 235.157228913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 286
- 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: 4.1
- Topological Polar Surface Area: 50.2?2
2-Pyridinecarboxylic acid, 4,5-bis(1,1-dimethylethyl)- Related Literature
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1. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
89032-18-8 (2-Pyridinecarboxylic acid, 4,5-bis(1,1-dimethylethyl)-) Related Products
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