Cas no 87999-88-0 (2-Pyridinecarboxylic acid, 4-hexyl-)
87999-88-0 structure
Product Name:2-Pyridinecarboxylic acid, 4-hexyl-
CAS No:87999-88-0
MF:C12H17NO2
MW:207.268883466721
CID:648909
PubChem ID:71411531
Update Time:2025-04-19
2-Pyridinecarboxylic acid, 4-hexyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylic acid, 4-hexyl-
- 4-hexylpyridine-2-carboxylic acid
- 87999-88-0
- DTXSID00831139
-
- Inchi： 1S/C12H17NO2/c1-2-3-4-5-6-10-7-8-13-11(9-10)12(14)15/h7-9H,2-6H2,1H3,(H,14,15)
- InChI Key： IWHHRTHKMJDXQJ-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C=CN=1)CCCCCC)=O
Computed Properties
- Exact Mass: 207.125928785g/mol
- Monoisotopic Mass: 207.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 6
- Complexity: 194
- 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: 3.7
- Topological Polar Surface Area: 50.2?2
2-Pyridinecarboxylic acid, 4-hexyl- Related Literature
-
Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
87999-88-0 (2-Pyridinecarboxylic acid, 4-hexyl-) Related Products
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