Cas no 26405-30-1 (2-Pyridinecarboxylicacid, 5-octyl-)
26405-30-1 structure
Product Name:2-Pyridinecarboxylicacid, 5-octyl-
CAS No:26405-30-1
MF:C14H21NO2
MW:235.32204413414
CID:284654
PubChem ID:213487
Update Time:2025-04-19
2-Pyridinecarboxylicacid, 5-octyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinecarboxylicacid, 5-octyl-
- 5-octylpyridine-2-carboxylic acid
- 5-Octyl-2-pyridinecarboxylic acid
- 5-22-02-00402 (Beilstein Handbook Reference)
- Q63399701
- 2-Pyridinecarboxylic acid, 5-octyl-
- Picolinic acid, 5-octyl-
- 5-Octylpicolinic acid
- SCHEMBL10662805
- TVASHDLWKCMJDO-UHFFFAOYSA-N
- 26405-30-1
- DTXSID80181003
- BRN 0475010
-
- Inchi： 1S/C14H21NO2/c1-2-3-4-5-6-7-8-12-9-10-13(14(16)17)15-11-12/h9-11H,2-8H2,1H3,(H,16,17)
- InChI Key： TVASHDLWKCMJDO-UHFFFAOYSA-N
- SMILES： OC(C1=CC=C(C=N1)CCCCCCCC)=O
Computed Properties
- Exact Mass: 235.15733
- 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
Experimental Properties
- PSA: 50.19
2-Pyridinecarboxylicacid, 5-octyl- Related Literature
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
26405-30-1 (2-Pyridinecarboxylicacid, 5-octyl-) Related Products
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