Cas no 87999-89-1 (2-Pyridinecarboxylic acid, 4-octyl-)
87999-89-1 structure
Product Name:2-Pyridinecarboxylic acid, 4-octyl-
CAS No:87999-89-1
MF:C14H21NO2
MW:235.32204413414
CID:648908
PubChem ID:71411530
Update Time:2025-04-19
2-Pyridinecarboxylic acid, 4-octyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylic acid, 4-octyl-
- 4-octylpyridine-2-carboxylic acid
- 87999-89-1
- DTXSID40831138
-
- Inchi： 1S/C14H21NO2/c1-2-3-4-5-6-7-8-12-9-10-15-13(11-12)14(16)17/h9-11H,2-8H2,1H3,(H,16,17)
- InChI Key： IGOINTJNCQGNQR-UHFFFAOYSA-N
- SMILES： OC(C1C=C(C=CN=1)CCCCCCCC)=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: 8
- Complexity: 218
- 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: 4.8
- Topological Polar Surface Area: 50.2?2
2-Pyridinecarboxylic acid, 4-octyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
87999-89-1 (2-Pyridinecarboxylic acid, 4-octyl-) Related Products
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