Cas no 78838-03-6 (1(2H)-Pyridineundecanoic acid, 2-oxo-)
78838-03-6 structure
Product Name:1(2H)-Pyridineundecanoic acid, 2-oxo-
CAS No:78838-03-6
MF:C16H25NO3
MW:279.374604940414
CID:533786
PubChem ID:71402979
Update Time:2025-04-19
1(2H)-Pyridineundecanoic acid, 2-oxo- Chemical and Physical Properties
Names and Identifiers
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- 1(2H)-Pyridineundecanoic acid, 2-oxo-
- 11-(2-oxopyridin-1-yl)undecanoic acid
- 78838-03-6
- DTXSID60823919
- 11-(2-Oxopyridin-1(2H)-yl)undecanoic acid
-
- Inchi: 1S/C16H25NO3/c18-15-11-8-10-14-17(15)13-9-6-4-2-1-3-5-7-12-16(19)20/h8,10-11,14H,1-7,9,12-13H2,(H,19,20)
- InChI Key: YLAPXVWPVUVJPU-UHFFFAOYSA-N
- SMILES: OC(CCCCCCCCCCN1C=CC=CC1=O)=O
Computed Properties
- Exact Mass: 279.18344366g/mol
- Monoisotopic Mass: 279.18344366g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 11
- Complexity: 361
- 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: 57.6?2
1(2H)-Pyridineundecanoic acid, 2-oxo- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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