Cas no 54300-23-1 (4-Pyridinecarboxylic acid, 3-methylbutyl ester)
54300-23-1 structure
Product Name:4-Pyridinecarboxylic acid, 3-methylbutyl ester
CAS No:54300-23-1
MF:C11H15NO2
MW:193.242303133011
CID:354934
PubChem ID:12509138
Update Time:2025-04-19
4-Pyridinecarboxylic acid, 3-methylbutyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyridinecarboxylic acid, 3-methylbutyl ester
- 3-methylbutyl pyridine-4-carboxylate
- DTXSID70500825
- 54300-23-1
- SCHEMBL552291
- AKOS006241632
-
- Inchi： 1S/C11H15NO2/c1-9(2)5-8-14-11(13)10-3-6-12-7-4-10/h3-4,6-7,9H,5,8H2,1-2H3
- InChI Key： KGQUNQWWGBOOJX-UHFFFAOYSA-N
- SMILES： O(C(C1C=CN=CC=1)=O)CCC(C)C
Computed Properties
- Exact Mass: 193.11035
- Monoisotopic Mass: 193.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 174
- 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: 2.8
- Topological Polar Surface Area: 39.2?2
Experimental Properties
- PSA: 39.19
4-Pyridinecarboxylic acid, 3-methylbutyl ester Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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3. 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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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
54300-23-1 (4-Pyridinecarboxylic acid, 3-methylbutyl ester) Related Products
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